Chemical ID: 5915181

CC(C)CN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccccc3
Chemical ID:
5915181
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-isobutyl-benzamide
SMILES [?]:
CC(C)CN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C25H28N2O2S/c1-20(2)16-27(25(29)22-12-7-4-8-13-22)19-24(28)26(18-23-14-9-15-30-23)17-21-10-5-3-6-11-21/h3-15,20H,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,28,13,15,27,29,20,12,16,26,30,19,21,4,10,17,6,2,11,25,18,7,23,9,5,8,24,22/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:30nCCCCNCCONCCCCCCCCCCCCSCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s5;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1502
Area:623.517
Solvation:-3.43768
Coulombic:-38.2067
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:420.568
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.44
LogP (Chemaxon):4.54

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Descriptor Annotations

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