Chemical ID: 6025323

CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)CCC3CCCC3
Chemical ID:
6025323
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-cyclopentyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C26H36N2O2S/c1-3-16-27(25(29)14-13-22-9-7-8-10-22)20-26(30)28(18-23-11-5-4-6-12-23)19-24-21(2)15-17-31-24/h4-6,11-12,15,17,22H,3,7-10,13-14,16,18-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,13,12,14,29,30,28,31,11,15,26,25,19,3,20,9,16,5,18,27,10,17,23,6,4,8,24,7,21/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCCCNCCONCCCCCCCCCCCCSCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s18;s4;d23;s23;s25;s26;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H36N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.857
Area:696.317
Solvation:-3.55097
Coulombic:-35.8132
Bond Count [?]
All:33
Single:26
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:440.642
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.27
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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