2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide

C19H23ClN2O4S — CID 126145191

IUPAC2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-14-6-13-21-19(23)15-22(17-7-4-3-5-8-17)27(24,25)18-11-9-16(20)10-12-18/h3-5,7-12H,2,6,13-15H2,1H3,(H,21,23)
InChIKeyJMVDEPPKWZOLAY-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.08
Rot. Bonds10

About 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide

2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide (PubChem CID 126145191) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
PubChem CID126145191
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-14-6-13-21-19(23)15-22(17-7-4-3-5-8-17)27(24,25)18-11-9-16(20)10-12-18/h3-5,7-12H,2,6,13-15H2,1H3,(H,21,23)
InChIKeyJMVDEPPKWZOLAY-UHFFFAOYSA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126153789
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30242190
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126126940
N-(3-ethoxypropyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152032
N-[3-(4-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226858
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2176573
ethyl 4-[3-(N-(4-chlorophenyl)sulfonylanilino)propylamino]-4-oxobutanoate
CID 42703056
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 30228380

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide (CID 126145191) is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
The InChIKey is JMVDEPPKWZOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-2-26-14-6-13-21-19(23)15-22(17-7-4-3-5-8-17)27(24,25)18-11-9-16(20)10-12-18/h3-5,7-12H,2,6,13-15H2,1H3,(H,21,23).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide has a molecular weight of 410.92 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 126145191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).