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

C19H23ClN2O3S — CID 113154894

IUPAC2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-5-21(16-9-6-8-14(2)12-16)19(23)13-22(26(4,24)25)18-11-7-10-17(20)15(18)3/h6-12H,5,13H2,1-4H3
InChIKeySVVZVYYDPYXTGO-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.78
Rot. Bonds6

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

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 113154894) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID113154894
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-5-21(16-9-6-8-14(2)12-16)19(23)13-22(26(4,24)25)18-11-7-10-17(20)15(18)3/h6-12H,5,13H2,1-4H3
InChIKeySVVZVYYDPYXTGO-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
N-ethyl-2-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113155154
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-ethyl-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 113155307
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155053
2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132944663
2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132681123
N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 30168992

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide (CID 113154894) is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is SVVZVYYDPYXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-21(16-9-6-8-14(2)12-16)19(23)13-22(26(4,24)25)18-11-7-10-17(20)15(18)3/h6-12H,5,13H2,1-4H3.
What are the key properties of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113154894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).