1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide

C18H23N3O4S — CID 55574430

IUPAC1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H23N3O4S/c1-13(2)20-26(24,25)12-16-7-5-4-6-15(16)11-19-18(23)14-8-9-21(3)17(22)10-14/h4-10,13,20H,11-12H2,1-3H3,(H,19,23)
InChIKeyLAVKWJZYQYBMQE-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.14
Rot. Bonds7

About 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 55574430) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID55574430
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H23N3O4S/c1-13(2)20-26(24,25)12-16-7-5-4-6-15(16)11-19-18(23)14-8-9-21(3)17(22)10-14/h4-10,13,20H,11-12H2,1-3H3,(H,19,23)
InChIKeyLAVKWJZYQYBMQE-UHFFFAOYSA-N
XLogP1.14
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 34565384

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide (CID 55574430) is 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is LAVKWJZYQYBMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13(2)20-26(24,25)12-16-7-5-4-6-15(16)11-19-18(23)14-8-9-21(3)17(22)10-14/h4-10,13,20H,11-12H2,1-3H3,(H,19,23).
What are the key properties of 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 55574430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).