N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide

C16H15NO4S — CID 102339485

IUPACN-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO4S/c1-12-8-10-14(11-9-12)22(20,21)17(2)16(19)15(18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyJUSFQVQIVCSLBE-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide

N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide (PubChem CID 102339485) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide
PubChem CID102339485
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO4S/c1-12-8-10-14(11-9-12)22(20,21)17(2)16(19)15(18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyJUSFQVQIVCSLBE-UHFFFAOYSA-N
XLogP2.03
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 2064041
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4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
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4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 9463969
4-(1-Methyl-2,5-dioxo-4-phenylpyrrol-3-yl)benzenesulfonamide
CID 90654519
4-[2-[(3-Oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide
CID 163360684
2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-N-benzyl-N-methylpropanamide
CID 4845733
2-methyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
CID 7601754
3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one
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1-[4-[4-(Cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
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CID 4836843

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide (CID 102339485) is N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide is Cc1ccc(S(=O)(=O)N(C)C(=O)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide?
The InChIKey is JUSFQVQIVCSLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-12-8-10-14(11-9-12)22(20,21)17(2)16(19)15(18)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide?
N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide has a molecular weight of 317.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)sulfonyl-2-oxo-2-phenylacetamide is sourced from PubChem (CID 102339485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).