2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide

C23H24N2O4S2 — CID 2283017

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-29-20-14-12-19(13-15-20)25(31(27,28)22-10-6-3-7-11-22)18-23(26)24-16-17-30-21-8-4-2-5-9-21/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyWYBRKOJAWKIIFS-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.80
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2283017) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2283017
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-29-20-14-12-19(13-15-20)25(31(27,28)22-10-6-3-7-11-22)18-23(26)24-16-17-30-21-8-4-2-5-9-21/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyWYBRKOJAWKIIFS-UHFFFAOYSA-N
XLogP3.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.80
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-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
1-(4-Fluorophenyl)-4-{3-[(4-methoxyphenyl)sulfonyl]propanoyl}piperazine
CID 3355141
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide
CID 15941553
(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 26719840
2-amino-N-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]acetamide
CID 53378637
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430
(2S)-4-(2-chloroacetyl)-N-(4-methoxyphenyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423201
N-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-phenyl-methanesulfonamide
CID 646824

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide (CID 2283017) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide is COc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is WYBRKOJAWKIIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-29-20-14-12-19(13-15-20)25(31(27,28)22-10-6-3-7-11-22)18-23(26)24-16-17-30-21-8-4-2-5-9-21/h2-15H,16-18H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2283017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).