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

C19H23ClN2O4S — CID 126144522

IUPAC2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-5-14-8-6-7-13(2)19(14)21-18(23)12-22(27(4,24)25)15-9-10-17(26-3)16(20)11-15/h6-11H,5,12H2,1-4H3,(H,21,23)
InChIKeyZQBNIOMWUMJRAI-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.62
Rot. Bonds7

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

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 126144522) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID126144522
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-5-14-8-6-7-13(2)19(14)21-18(23)12-22(27(4,24)25)15-9-10-17(26-3)16(20)11-15/h6-11H,5,12H2,1-4H3,(H,21,23)
InChIKeyZQBNIOMWUMJRAI-UHFFFAOYSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 982667
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126154684
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1354356
ethyl 2-chloro-5-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 92671753
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1265075
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide
CID 132667578

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (CID 126144522) is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is ZQBNIOMWUMJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-5-14-8-6-7-13(2)19(14)21-18(23)12-22(27(4,24)25)15-9-10-17(26-3)16(20)11-15/h6-11H,5,12H2,1-4H3,(H,21,23).
What are the key properties of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 410.92 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 126144522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).