2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide

C18H21ClN2O3S — CID 22304304

IUPAC2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2cc(Cl)cc(S(C)(=O)=O)c2C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-5-6-12(2)15(7-11)21-18(22)10-20-16-8-14(19)9-17(13(16)3)25(4,23)24/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyKMDQBFFOLKPMDY-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.72
Rot. Bonds5

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

2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 22304304) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
PubChem CID22304304
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2cc(Cl)cc(S(C)(=O)=O)c2C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-5-6-12(2)15(7-11)21-18(22)10-20-16-8-14(19)9-17(13(16)3)25(4,23)24/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyKMDQBFFOLKPMDY-UHFFFAOYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate
CID 22304180
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(5-chloro-2-methylphenyl)-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998040
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide (CID 22304304) is 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CNc2cc(Cl)cc(S(C)(=O)=O)c2C)c1.
What is the InChIKey of 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is KMDQBFFOLKPMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-11-5-6-12(2)15(7-11)21-18(22)10-20-16-8-14(19)9-17(13(16)3)25(4,23)24/h5-9,20H,10H2,1-4H3,(H,21,22).
What are the key properties of 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide?
2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 380.90 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 22304304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).