Chemical ID: 5549268

Cc1c(cccc1NC(=O)CN(c2ccc(cc2)OC)S(=O)(=O)C)C(=O)OC
Chemical ID:
5549268
Name [?]:
methyl 3-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]acetyl]amino-2-methyl-benzoate
SMILES [?]:
Cc1c(cccc1NC(=O)CN(c2ccc(cc2)OC)S(=O)(=O)C)C(=O)OC
InChi [?]:
InChI=1/C19H22N2O6S/c1-13-16(19(23)27-3)6-5-7-17(13)20-18(22)12-21(28(4,24)25)14-8-10-15(26-2)11-9-14/h5-11H,12H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,28,24,5,4,6,14,18,15,17,11,2,13,16,3,7,9,25,8,12,10,26,22,23,19,27,21/E:(8,9)(10,11)(24,25)/CRV:28.6/rA:28cCCCCCCCNCOCNCCCCCCOCSOOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s12;d21;d21;s21;s3;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O6S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.30891
Area:605.404
Solvation:-5.82619
Coulombic:-51.7623
Bond Count [?]
All:29
Single:19
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:406.454
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.64
LogP (Chemaxon):0.99

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Descriptor Annotations

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