Chemical ID: 5915514

CC(C)(C)C(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C3CCCCC3
Chemical ID:
5915514
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-cyclohexyl-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C3CCCCC3
InChi [?]:
InChI=1/C25H34N2O2S/c1-25(2,3)24(29)27(21-13-8-5-9-14-21)19-23(28)26(18-22-15-10-16-30-22)17-20-11-6-4-7-12-20/h4,6-7,10-12,15-16,21H,5,8-9,13-14,17-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,28,15,17,27,29,22,14,18,26,30,21,23,12,19,8,13,25,20,9,5,2,11,7,10,6,24/E:(1,2,3)(6,7)(8,9)(11,12)(13,14)/rA:30nCCCCCONCCONCCCCCCCCCCCCSCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1582
Area:623.455
Solvation:-3.42819
Coulombic:-36.4735
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.616
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.22
LogP (Chemaxon):5.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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