[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate

C22H21N3O5S — CID 55462780

IUPAC[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)cc1S(N)(=O)=O
InChIInChI=1S/C22H21N3O5S/c1-14-8-9-17(12-20(14)31(23,28)29)25-21(26)13-30-22(27)18-10-11-19(24-15(18)2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,26)(H2,23,28,29)
InChIKeyLIBWLPCDOQARLW-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.81
Rot. Bonds6

About [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 55462780) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID55462780
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)cc1S(N)(=O)=O
InChIInChI=1S/C22H21N3O5S/c1-14-8-9-17(12-20(14)31(23,28)29)25-21(26)13-30-22(27)18-10-11-19(24-15(18)2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,26)(H2,23,28,29)
InChIKeyLIBWLPCDOQARLW-UHFFFAOYSA-N
XLogP2.81
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 38530845
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate
CID 16543286
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
CID 55366679
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 55367935
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55365933
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
2-(2-iodophenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38879249
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27772966
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463162
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798138
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate (CID 55462780) is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)cc1S(N)(=O)=O.
What is the InChIKey of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is LIBWLPCDOQARLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-14-8-9-17(12-20(14)31(23,28)29)25-21(26)13-30-22(27)18-10-11-19(24-15(18)2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,26)(H2,23,28,29).
What are the key properties of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 55462780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).