2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide

C19H24N2O4S — CID 126143488

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-3-4-14-20-19(22)15-21(17-12-8-9-13-18(17)25-2)26(23,24)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)
InChIKeyUNZAKCBVLWHDEW-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.81
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide (PubChem CID 126143488) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
PubChem CID126143488
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-3-4-14-20-19(22)15-21(17-12-8-9-13-18(17)25-2)26(23,24)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)
InChIKeyUNZAKCBVLWHDEW-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.81
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)-2,4-dimethoxyanilino]-N-butylacetamide
CID 126136501
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126131716
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30205214
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide
CID 2671816

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide (CID 126143488) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide is CCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide?
The InChIKey is UNZAKCBVLWHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-4-14-20-19(22)15-21(17-12-8-9-13-18(17)25-2)26(23,24)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide is sourced from PubChem (CID 126143488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).