Chemical ID: 6025085

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)C3CCCC3
Chemical ID:
6025085
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isobutyl-cyclopentanecarboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)C3CCCC3
InChi [?]:
InChI=1/C25H34N2O2S/c1-19(2)15-27(25(29)22-11-7-8-12-22)18-24(28)26(16-21-9-5-4-6-10-21)17-23-20(3)13-14-30-23/h4-6,9-10,13-14,19,22H,7-8,11-12,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,13,12,14,28,29,11,15,27,30,3,4,20,9,7,18,21,2,10,26,6,16,24,8,19,17,25,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCSCCNCCCCCCCCOCNCCCCCOCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.3553
Area:632.328
Solvation:-3.45292
Coulombic:-35.7136
Bond Count [?]
All:32
Single:25
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:426.616
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):4.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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