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Chemical ID: 7526858

COc1ccc(cc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)c4cccs4

Chemical ID:

7526858

Name [?]:

N-[3-[(4-methoxyphenyl)carbamoyl]-4-(1-piperidyl)phenyl]thiophene-2-carboxamide

SMILES [?]:

COc1ccc(cc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)c4cccs4

InChi [?]:

InChI=1/C24H25N3O3S/c1-30-19-10-7-17(8-11-19)25-23(28)20-16-18(26-24(29)22-6-5-15-31-22)9-12-21(20)27-13-3-2-4-14-27/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,28)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,29,28,5,7,15,4,8,16,19,23,30,13,6,14,3,12,17,27,10,25,9,24,18,11,26,2,31/E:(3,4)(7,8)(10,11)(13,14)/rA:31nCOCCCCCCNCOCCCCCCNCCCCCNCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;s14;s24;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₃S
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	11.5113
Area:	665.51
Solvation:	-5.12644
Coulombic:	-56.0335

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.98
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value