Chemical ID: 5915849

C=CCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCCC3
Chemical ID:
5915849
Name [?]:
N-allyl-N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]cyclopentanecarboxamide
SMILES [?]:
C=CCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCCC3
InChi [?]:
InChI=1/C23H28N2O2S/c1-2-14-24(23(27)20-11-6-7-12-20)18-22(26)25(17-21-13-8-15-28-21)16-19-9-4-3-5-10-19/h2-5,8-10,13,15,20H,1,6-7,11-12,14,16-18H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,26,27,19,11,15,25,28,18,3,20,9,16,5,10,24,17,6,22,4,8,7,23,21/E:(4,5)(6,7)(9,10)(11,12)/rA:28nCCCNCCONCCCCCCCCCCCCSCOCCCCC/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2415
Area:596.456
Solvation:-3.66995
Coulombic:-36.6019
Bond Count [?]
All:30
Single:22
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:396.547
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.61
LogP (Chemaxon):3.82

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Descriptor Annotations

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