2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide

C16H18N2O3S — CID 2178261

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-13-8-10-15(11-9-13)22(20,21)18(2)12-16(19)17-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyLUKFYOVAOBJTDC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.25
Rot. Bonds5

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide (PubChem CID 2178261) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
PubChem CID2178261
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-13-8-10-15(11-9-13)22(20,21)18(2)12-16(19)17-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyLUKFYOVAOBJTDC-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N-(9H-fluoren-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 24658365
1-[3-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxobutan-2-yl]-3-phenylurea
CID 46643151

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide (CID 2178261) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
The InChIKey is LUKFYOVAOBJTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-13-8-10-15(11-9-13)22(20,21)18(2)12-16(19)17-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 2178261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).