Chemical ID: 4755197

CN(C1CCCCC1)S(=O)(=O)c2ccc(s2)CNC(=O)c3ccccc3
Chemical ID:
4755197
Name [?]:
N-[[5-(cyclohexyl-methyl-sulfamoyl)-2-thienyl]methyl]benzamide
SMILES [?]:
CN(C1CCCCC1)S(=O)(=O)c2ccc(s2)CNC(=O)c3ccccc3
InChi [?]:
InChI=1/C19H24N2O3S2/c1-21(16-10-6-3-7-11-16)26(23,24)18-13-12-17(25-18)14-20-19(22)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,6,23,25,5,7,22,26,4,8,14,13,17,21,3,15,12,19,18,2,20,10,11,16,9/E:(4,5)(6,7)(8,9)(10,11)(23,24)/CRV:26.6/rA:26cCNCCCCCCSOOCCCCSCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;d9;s9;d12;s13;d14;s12s15;s15;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.364
Area:612.316
Solvation:-2.94385
Coulombic:-32.1424
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.538
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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