2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

C17H19ClN2O3S — CID 1362391

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-6-8-13(2)17(12)19-16(21)11-20(24(3,22)23)15-10-5-4-9-14(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyMATKFIPFZOFIRG-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.36
Rot. Bonds5

About 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 1362391) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID1362391
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-6-8-13(2)17(12)19-16(21)11-20(24(3,22)23)15-10-5-4-9-14(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyMATKFIPFZOFIRG-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30258400
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (CID 1362391) is 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is MATKFIPFZOFIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-7-6-8-13(2)17(12)19-16(21)11-20(24(3,22)23)15-10-5-4-9-14(15)18/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 1362391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).