N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C18H22ClN3O4S — CID 9401741

IUPACN-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O4S/c1-3-22(4-2)27(25,26)16-8-9-18(24)21(12-16)13-17(23)20-11-14-6-5-7-15(19)10-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,23)
InChIKeyKSNUVHIHQCBEIQ-UHFFFAOYSA-N
MW411.91 g/mol
LogP1.85
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 9401741) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID9401741
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O4S/c1-3-22(4-2)27(25,26)16-8-9-18(24)21(12-16)13-17(23)20-11-14-6-5-7-15(19)10-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,23)
InChIKeyKSNUVHIHQCBEIQ-UHFFFAOYSA-N
XLogP1.85
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282
N-(4-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552949
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7768251
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56576175
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 31871462
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26809065

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 9401741) is N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is KSNUVHIHQCBEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-3-22(4-2)27(25,26)16-8-9-18(24)21(12-16)13-17(23)20-11-14-6-5-7-15(19)10-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 411.91 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 9401741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).