2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide

C16H17ClN2O3S — CID 1204030

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-12-8-9-13(17)10-15(12)19(23(2,21)22)11-16(20)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyOMDJLFNWXJSGHG-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.05
Rot. Bonds5

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide (PubChem CID 1204030) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
PubChem CID1204030
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-12-8-9-13(17)10-15(12)19(23(2,21)22)11-16(20)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyOMDJLFNWXJSGHG-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126031230
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1288859
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126327140
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1315120

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide (CID 1204030) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide is Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
The InChIKey is OMDJLFNWXJSGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-8-9-13(17)10-15(12)19(23(2,21)22)11-16(20)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide has a molecular weight of 352.84 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 1204030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).