2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide

C19H23ClN2O4S — CID 53279028

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O4S/c1-3-4-12-21-19(23)14-22(15-10-11-18(26-2)17(20)13-15)27(24,25)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyPKOFBSCJVMRAIO-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.46
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide (PubChem CID 53279028) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
PubChem CID53279028
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O4S/c1-3-4-12-21-19(23)14-22(15-10-11-18(26-2)17(20)13-15)27(24,25)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyPKOFBSCJVMRAIO-UHFFFAOYSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.46
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)-3-chloro-4-methoxyanilino]-N-propylacetamide
CID 53279027
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126126940
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30208402
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2285614
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
CID 3111589
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 126033274
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-butylpropanamide
CID 132747384
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2284373
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide (CID 53279028) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide is CCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide?
The InChIKey is PKOFBSCJVMRAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-3-4-12-21-19(23)14-22(15-10-11-18(26-2)17(20)13-15)27(24,25)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide has a molecular weight of 410.92 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide is sourced from PubChem (CID 53279028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).