ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate

C23H23N3O5S — CID 55631134

IUPACethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)nc1C
InChIInChI=1S/C23H23N3O5S/c1-4-31-23(28)20-13-14-21(24-16(20)2)22(27)25-17-9-8-12-19(15-17)32(29,30)26(3)18-10-6-5-7-11-18/h5-15H,4H2,1-3H3,(H,25,27)
InChIKeyQBYATPDCAQAMED-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.64
Rot. Bonds7

About ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate

ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 55631134) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID55631134
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Nameethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)nc1C
InChIInChI=1S/C23H23N3O5S/c1-4-31-23(28)20-13-14-21(24-16(20)2)22(27)25-17-9-8-12-19(15-17)32(29,30)26(3)18-10-6-5-7-11-18/h5-15H,4H2,1-3H3,(H,25,27)
InChIKeyQBYATPDCAQAMED-UHFFFAOYSA-N
XLogP3.64
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55706019
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
ethyl 6-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631526
ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate
CID 71763067
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
CID 17455691
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 3988955
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate (CID 55631134) is ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is QBYATPDCAQAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-4-31-23(28)20-13-14-21(24-16(20)2)22(27)25-17-9-8-12-19(15-17)32(29,30)26(3)18-10-6-5-7-11-18/h5-15H,4H2,1-3H3,(H,25,27).
What are the key properties of ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate?
ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 453.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 55631134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).