2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide

C23H22ClN7O4S — CID 10165288

IUPAC2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C23H22ClN7O4S/c1-16-7-9-20(27-36(34,35)14-17-5-3-2-4-6-17)23(33)30(16)13-22(32)25-12-18-11-19(24)8-10-21(18)31-15-26-28-29-31/h2-11,15,27H,12-14H2,1H3,(H,25,32)
InChIKeyVHDSIUDQBOQQLE-UHFFFAOYSA-N
MW527.99 g/mol
LogP2.04
Rot. Bonds9

About 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide

2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide (PubChem CID 10165288) has the molecular formula C23H22ClN7O4S and a molecular weight of 527.99 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
PubChem CID10165288
Molecular FormulaC23H22ClN7O4S
Molecular Weight527.99 g/mol
Exact Mass527.11
IUPAC Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C23H22ClN7O4S/c1-16-7-9-20(27-36(34,35)14-17-5-3-2-4-6-17)23(33)30(16)13-22(32)25-12-18-11-19(24)8-10-21(18)31-15-26-28-29-31/h2-11,15,27H,12-14H2,1H3,(H,25,32)
InChIKeyVHDSIUDQBOQQLE-UHFFFAOYSA-N
XLogP2.04
TPSA140.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.99
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10230057
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclohexyl(methylsulfonyl)amino]-5-methylbenzamide
CID 53326298
2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 10117424
2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 10141313
methyl N-[4-[2-[(1S)-1-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenylethyl]-6-oxo-1H-pyridin-4-yl]phenyl]carbamate
CID 57976350
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide
CID 53317109
(2S,4S)-4-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-N-phenylpyrrolidine-2-carboxamide
CID 72550187
(2S,4S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4-[(3S)-3-methyl-4-sulfamoylpiperazin-1-yl]-N-phenylpyrrolidine-2-carboxamide
CID 90033784
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 146914182
(2S)-2-[[(2R)-2-amino-4-phenylbutyl]amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]propanamide
CID 167844941
2-[3-(2-chloro-5-fluoro-N-methylanilino)-6-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
CID 15951248
4-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-2-fluoro-N-methylsulfonylbenzamide
CID 59401957

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide (CID 10165288) is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is VHDSIUDQBOQQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O4S/c1-16-7-9-20(27-36(34,35)14-17-5-3-2-4-6-17)23(33)30(16)13-22(32)25-12-18-11-19(24)8-10-21(18)31-15-26-28-29-31/h2-11,15,27H,12-14H2,1H3,(H,25,32).
What are the key properties of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 527.99 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10165288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).