2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide

C17H19ClN2O4S — CID 112996961

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(13-7-5-4-6-8-13)17(21)12-19-25(22,23)14-9-10-16(24-2)15(18)11-14/h4-11,19H,3,12H2,1-2H3
InChIKeyUMXOBTVYPMPSJH-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.68
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide (PubChem CID 112996961) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide
PubChem CID112996961
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(13-7-5-4-6-8-13)17(21)12-19-25(22,23)14-9-10-16(24-2)15(18)11-14/h4-11,19H,3,12H2,1-2H3
InChIKeyUMXOBTVYPMPSJH-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
CID 110418941
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244513
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794889
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide (CID 112996961) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CNS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide?
The InChIKey is UMXOBTVYPMPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-3-20(13-7-5-4-6-8-13)17(21)12-19-25(22,23)14-9-10-16(24-2)15(18)11-14/h4-11,19H,3,12H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide has a molecular weight of 382.87 g/mol, XLogP of 2.68, 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-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 112996961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).