N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

C17H19ClN2O3S — CID 1203982

IUPACN-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-8-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-4-6-14(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyQEOFAWUQWBKCBI-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.36
Rot. Bonds5

About N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 1203982) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID1203982
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-8-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-4-6-14(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyQEOFAWUQWBKCBI-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

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312515
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 51342568
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155382
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 1203982) is N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is QEOFAWUQWBKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-8-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-4-6-14(15)18/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-(2-chlorophenyl)-2-(2,4-dimethyl-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-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1203982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).