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Chemical ID: 5914458

CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCCCC3

Chemical ID:

5914458

Name [?]:

N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-butyl-cyclohexanecarboxamide

SMILES [?]:

CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCCCC3

InChi [?]:

InChI=1/C25H34N2O2S/c1-2-3-16-26(25(29)22-13-8-5-9-14-22)20-24(28)27(19-23-15-10-17-30-23)18-21-11-6-4-7-12-21/h4,6-7,10-12,15,17,22H,2-3,5,8-9,13-14,16,18-20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,14,28,13,15,27,29,20,12,16,26,30,19,4,21,10,17,6,11,25,18,7,23,5,9,8,24,22/E:(6,7)(8,9)(11,12)(13,14)/rA:30nCCCCNCCONCCCCCCCCCCCCSCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s5;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3385
Area:	637.521
Solvation:	-3.59952
Coulombic:	-36.1376

Bond Count [?]

All:	32
Single:	25
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	426.616
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.91
LogP (Chemaxon):	4.68

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

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Chemical Mix	Source	External ID	Descriptor	Value