2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

C19H23ClN2O3S — CID 22307577

IUPAC2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(Cl)c(S(C)(=O)=O)c1C
InChIInChI=1S/C19H23ClN2O3S/c1-5-14-8-6-7-12(2)18(14)22-17(23)11-21-16-10-9-15(20)19(13(16)3)26(4,24)25/h6-10,21H,5,11H2,1-4H3,(H,22,23)
InChIKeyJWLSBQONSPSGLJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 22307577) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID22307577
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(Cl)c(S(C)(=O)=O)c1C
InChIInChI=1S/C19H23ClN2O3S/c1-5-14-8-6-7-12(2)18(14)22-17(23)11-21-16-10-9-15(20)19(13(16)3)26(4,24)25/h6-10,21H,5,11H2,1-4H3,(H,22,23)
InChIKeyJWLSBQONSPSGLJ-UHFFFAOYSA-N
XLogP3.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 54815902
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 110929600
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
CID 108954244
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
CID 109008060
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997077
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112997037

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (CID 22307577) is 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CNc1ccc(Cl)c(S(C)(=O)=O)c1C.
What is the InChIKey of 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is JWLSBQONSPSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-14-8-6-7-12(2)18(14)22-17(23)11-21-16-10-9-15(20)19(13(16)3)26(4,24)25/h6-10,21H,5,11H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 22307577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).