Chemical ID: 4480512

CN(CC(=O)Nc1cccc(c1)OC)S(=O)(=O)c2ccc3ccccc3c2
Chemical ID:
4480512
Name [?]:
N-(3-methoxyphenyl)-2-(methyl-(2-naphthylsulfonyl)amino)-acetamide
SMILES [?]:
CN(CC(=O)Nc1cccc(c1)OC)S(=O)(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H20N2O4S/c1-22(14-20(23)21-17-8-5-9-18(13-17)26-2)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,14H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,14,23,24,9,22,25,8,10,20,19,27,12,3,21,26,7,11,18,4,6,2,5,16,17,13,15/E:(24,25)/CRV:27.6/rA:27cCNCCONCCCCCCOCSOOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s2;d15;d15;s15;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.89111
Area:587.393
Solvation:-5.7937
Coulombic:-35.0185
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.45
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):3.0

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue