2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C18H20Cl2N2O3S — CID 23931844

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(2)13-4-7-15(8-5-13)21-18(23)11-22(26(3,24)25)17-10-14(19)6-9-16(17)20/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyJIIAWOAUWKMZSV-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.52
Rot. Bonds6

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 23931844) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID23931844
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(2)13-4-7-15(8-5-13)21-18(23)11-22(26(3,24)25)17-10-14(19)6-9-16(17)20/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyJIIAWOAUWKMZSV-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915518
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 23931844) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is JIIAWOAUWKMZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12(2)13-4-7-15(8-5-13)21-18(23)11-22(26(3,24)25)17-10-14(19)6-9-16(17)20/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 415.34 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 23931844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).