2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide

C21H28N2O4S — CID 21372135

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H28N2O4S/c1-3-5-9-16-22-21(24)17-23(18-12-14-19(15-13-18)27-4-2)28(25,26)20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H,22,24)
InChIKeyJCGXLAHDNHSZHZ-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.59
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide (PubChem CID 21372135) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
PubChem CID21372135
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H28N2O4S/c1-3-5-9-16-22-21(24)17-23(18-12-14-19(15-13-18)27-4-2)28(25,26)20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H,22,24)
InChIKeyJCGXLAHDNHSZHZ-UHFFFAOYSA-N
XLogP3.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.59
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-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30203542
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 30228380
N-(3-benzylsulfanylpropyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 43897203
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344954
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51343423
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30252150
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30169662

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide (CID 21372135) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide is CCCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide?
The InChIKey is JCGXLAHDNHSZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-3-5-9-16-22-21(24)17-23(18-12-14-19(15-13-18)27-4-2)28(25,26)20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide has a molecular weight of 404.53 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide is sourced from PubChem (CID 21372135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).