N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide

C18H21N3O4S — CID 110626756

IUPACN-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C18H21N3O4S/c1-21(16-7-3-2-4-8-16)26(24,25)13-12-20-18(23)10-9-17(22)15-6-5-11-19-14-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyONJITIKWKIXYSR-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.63
Rot. Bonds9

About N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110626756) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110626756
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C18H21N3O4S/c1-21(16-7-3-2-4-8-16)26(24,25)13-12-20-18(23)10-9-17(22)15-6-5-11-19-14-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyONJITIKWKIXYSR-UHFFFAOYSA-N
XLogP1.63
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110609610
3-[methyl(phenyl)sulfamoyl]-N-propylpropanamide
CID 110342905
2-(4-chlorophenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]acetamide
CID 110287682
4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide
CID 110626723
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287677
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate
CID 110287709

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110626756) is N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide is CN(c1ccccc1)S(=O)(=O)CCNC(=O)CCC(=O)c1cccnc1.
What is the InChIKey of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is ONJITIKWKIXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-21(16-7-3-2-4-8-16)26(24,25)13-12-20-18(23)10-9-17(22)15-6-5-11-19-14-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 375.45 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110626756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).