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

C20H25ClN2O5S — CID 126126940

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O5S/c1-3-28-13-7-12-22-20(24)15-23(16-10-11-19(27-2)18(21)14-16)29(25,26)17-8-5-4-6-9-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyUWCWKVUXIVZTGO-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.09
Rot. Bonds11

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

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide (PubChem CID 126126940) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
PubChem CID126126940
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O5S/c1-3-28-13-7-12-22-20(24)15-23(16-10-11-19(27-2)18(21)14-16)29(25,26)17-8-5-4-6-9-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyUWCWKVUXIVZTGO-UHFFFAOYSA-N
XLogP3.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.09
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)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
CID 53279027
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30208402
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2285614
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126145191
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
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-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126153789
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide (CID 126126940) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
The InChIKey is UWCWKVUXIVZTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-3-28-13-7-12-22-20(24)15-23(16-10-11-19(27-2)18(21)14-16)29(25,26)17-8-5-4-6-9-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide has a molecular weight of 440.95 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 126126940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).