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

C18H22N2O3S — CID 30168672

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-9-10-17(15(3)11-13)20(24(4,22)23)12-18(21)19-16-8-6-5-7-14(16)2/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyMIHZXKSWCFOVQV-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.02
Rot. Bonds5

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

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide (PubChem CID 30168672) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
PubChem CID30168672
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-9-10-17(15(3)11-13)20(24(4,22)23)12-18(21)19-16-8-6-5-7-14(16)2/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyMIHZXKSWCFOVQV-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1203982
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312515
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157523
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-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide (CID 30168672) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide is Cc1ccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is MIHZXKSWCFOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-9-10-17(15(3)11-13)20(24(4,22)23)12-18(21)19-16-8-6-5-7-14(16)2/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 30168672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).