N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

C17H19ClN2O3S — CID 51342538

IUPACN-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-5-4-6-15(9-12)20(24(3,22)23)11-17(21)19-16-10-14(18)8-7-13(16)2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyRSZYSEFYGQDXHQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.36
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 51342538) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID51342538
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-5-4-6-15(9-12)20(24(3,22)23)11-17(21)19-16-10-14(18)8-7-13(16)2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyRSZYSEFYGQDXHQ-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851
N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30265111
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994
N-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978401
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
methyl 2-methyl-3-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126270185
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 3910967
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 51342538) is N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is RSZYSEFYGQDXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-5-4-6-15(9-12)20(24(3,22)23)11-17(21)19-16-10-14(18)8-7-13(16)2/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 51342538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).