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Chemical ID: 7516557

Cc1cccc(c1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)c4cccs4

Chemical ID:

7516557

Name [?]:

N-[3-(m-tolylcarbamoyl)-4-(1-piperidyl)phenyl]thiophene-2-carboxamide

SMILES [?]:

Cc1cccc(c1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)c4cccs4

InChi [?]:

InChI=1/C24H25N3O2S/c1-17-7-5-8-18(15-17)25-23(28)20-16-19(26-24(29)22-9-6-14-30-22)10-11-21(20)27-12-3-2-4-13-27/h5-11,14-16H,2-4,12-13H2,1H3,(H,25,28)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,4,28,3,5,27,14,15,18,22,29,7,12,2,6,13,11,16,26,9,24,8,23,17,10,25,30/E:(3,4)(12,13)/rA:30nCCCCCCCNCOCCCCCCNCCCCCNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s13;s23;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₂S
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	12.5053
Area:	649.779
Solvation:	-3.73916
Coulombic:	-49.7436

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.5
LogP (Chemaxon):	None

Name Annotations

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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