2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

C17H19ClN2O5S — CID 112999206

IUPAC2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H19ClN2O5S/c1-11-8-13(5-6-14(11)18)26(22,23)19-10-17(21)20-15-9-12(24-2)4-7-16(15)25-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyOGKMOUNJMIBMSF-UHFFFAOYSA-N
MW398.87 g/mol
LogP2.58
Rot. Bonds7

About 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 112999206) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID112999206
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC Name2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H19ClN2O5S/c1-11-8-13(5-6-14(11)18)26(22,23)19-10-17(21)20-15-9-12(24-2)4-7-16(15)25-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyOGKMOUNJMIBMSF-UHFFFAOYSA-N
XLogP2.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112999205
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
N-(2-chlorophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 112997799
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (CID 112999206) is 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is OGKMOUNJMIBMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-11-8-13(5-6-14(11)18)26(22,23)19-10-17(21)20-15-9-12(24-2)4-7-16(15)25-3/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 398.87 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112999206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).