2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

C18H21ClN2O3S — CID 998783

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-4-14-7-5-6-8-17(14)20-18(22)12-21(25(3,23)24)15-10-9-13(2)16(19)11-15/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyMACASCGAOVZESA-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.62
Rot. Bonds6

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (PubChem CID 998783) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
PubChem CID998783
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-4-14-7-5-6-8-17(14)20-18(22)12-21(25(3,23)24)15-10-9-13(2)16(19)11-15/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyMACASCGAOVZESA-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 53280656
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1302162
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 30169297
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (CID 998783) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The InChIKey is MACASCGAOVZESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-4-14-7-5-6-8-17(14)20-18(22)12-21(25(3,23)24)15-10-9-13(2)16(19)11-15/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide has a molecular weight of 380.90 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 998783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).