2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide

C19H23ClN2O3S — CID 24654937

IUPAC2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-2-22(17-7-4-3-5-8-17)14-6-13-21-19(23)15-26(24,25)18-11-9-16(20)10-12-18/h3-5,7-12H,2,6,13-15H2,1H3,(H,21,23)
InChIKeyWEBWZGZHOAIMPJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.15
Rot. Bonds9

About 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide (PubChem CID 24654937) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
PubChem CID24654937
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-2-22(17-7-4-3-5-8-17)14-6-13-21-19(23)15-26(24,25)18-11-9-16(20)10-12-18/h3-5,7-12H,2,6,13-15H2,1H3,(H,21,23)
InChIKeyWEBWZGZHOAIMPJ-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.15
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-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
3-(N-ethylanilino)propylurea
CID 112708177
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
CID 79473705
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55813419
N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
CID 41278296

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide (CID 24654937) is 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide is CCN(CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide?
The InChIKey is WEBWZGZHOAIMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-2-22(17-7-4-3-5-8-17)14-6-13-21-19(23)15-26(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-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide is sourced from PubChem (CID 24654937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).