2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

C28H34N2O5S — CID 30203079

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34N2O5S/c1-3-21-35-26-18-10-8-13-23(26)14-12-20-29-28(31)22-30(25-17-9-11-19-27(25)34-4-2)36(32,33)24-15-6-5-7-16-24/h5-11,13,15-19H,3-4,12,14,20-22H2,1-2H3,(H,29,31)
InChIKeyXAOBISIIHIETND-UHFFFAOYSA-N
MW510.66 g/mol
LogP4.82
Rot. Bonds14

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (PubChem CID 30203079) has the molecular formula C28H34N2O5S and a molecular weight of 510.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
PubChem CID30203079
Molecular FormulaC28H34N2O5S
Molecular Weight510.66 g/mol
Exact Mass510.22
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34N2O5S/c1-3-21-35-26-18-10-8-13-23(26)14-12-20-29-28(31)22-30(25-17-9-11-19-27(25)34-4-2)36(32,33)24-15-6-5-7-16-24/h5-11,13,15-19H,3-4,12,14,20-22H2,1-2H3,(H,29,31)
InChIKeyXAOBISIIHIETND-UHFFFAOYSA-N
XLogP4.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30175236
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 43893372
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30200922
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30203029
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30205214
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43892502
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220284
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126337667
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2894039

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (CID 30203079) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is CCCOc1ccccc1CCCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The InChIKey is XAOBISIIHIETND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5S/c1-3-21-35-26-18-10-8-13-23(26)14-12-20-29-28(31)22-30(25-17-9-11-19-27(25)34-4-2)36(32,33)24-15-6-5-7-16-24/h5-11,13,15-19H,3-4,12,14,20-22H2,1-2H3,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide has a molecular weight of 510.66 g/mol, XLogP of 4.82, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30203079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).