2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide

C18H20Cl2N2O3S — CID 126138647

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(2)14-6-4-5-7-17(14)21-18(23)11-22(26(3,24)25)13-8-9-15(19)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyOAAQTKMTPQRZCR-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.52
Rot. Bonds6

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 126138647) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID126138647
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(2)14-6-4-5-7-17(14)21-18(23)11-22(26(3,24)25)13-8-9-15(19)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyOAAQTKMTPQRZCR-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-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312870
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126319506

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide (CID 126138647) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is OAAQTKMTPQRZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12(2)14-6-4-5-7-17(14)21-18(23)11-22(26(3,24)25)13-8-9-15(19)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-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-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 126138647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).