Chemical ID: 5914214

CCC(C)CN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)CC
Chemical ID:
5914214
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(2-methylbutyl)propanamide
SMILES [?]:
CCC(C)CN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)CC
InChi [?]:
InChI=1/C22H30N2O2S/c1-4-18(3)14-23(21(25)5-2)17-22(26)24(16-20-12-9-13-27-20)15-19-10-7-6-8-11-19/h6-13,18H,4-5,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,4,2,26,15,14,16,21,13,17,20,22,5,11,18,7,3,12,19,24,8,6,10,25,9,23/E:(7,8)(10,11)/rA:27cCCCCCNCCONCCCCCCCCCCCCSCOCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;s19s22;s6;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.9123
Area:618.563
Solvation:-3.55175
Coulombic:-35.5095
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:386.552
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):3.84

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