2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide

C24H32N2O4S2 — CID 30202134

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H32N2O4S2/c1-30-21-11-8-10-20(18-21)26(32(28,29)23-14-6-3-7-15-23)19-24(27)25-16-9-17-31-22-12-4-2-5-13-22/h3,6-8,10-11,14-15,18,22H,2,4-5,9,12-13,16-17,19H2,1H3,(H,25,27)
InChIKeyHEYBCIOIOWXIPX-UHFFFAOYSA-N
MW476.66 g/mol
LogP4.46
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide (PubChem CID 30202134) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
PubChem CID30202134
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H32N2O4S2/c1-30-21-11-8-10-20(18-21)26(32(28,29)23-14-6-3-7-15-23)19-24(27)25-16-9-17-31-22-12-4-2-5-13-22/h3,6-8,10-11,14-15,18,22H,2,4-5,9,12-13,16-17,19H2,1H3,(H,25,27)
InChIKeyHEYBCIOIOWXIPX-UHFFFAOYSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.46
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-chloroanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30200870
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30204081
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30252112
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126029711
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
CID 3139093
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30202137
N-(3-cyclohexylsulfanylpropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217868
N-(3-cyclohexylsulfanylpropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 30227715
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
CID 2274017
N-(2-cyclohexylsulfanylethyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2928986
N-(3-cyclohexylsulfanylpropyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30216269
N-(3-cyclohexylsulfanylpropyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227424

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide (CID 30202134) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide is COc1cccc(N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide?
The InChIKey is HEYBCIOIOWXIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-30-21-11-8-10-20(18-21)26(32(28,29)23-14-6-3-7-15-23)19-24(27)25-16-9-17-31-22-12-4-2-5-13-22/h3,6-8,10-11,14-15,18,22H,2,4-5,9,12-13,16-17,19H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide has a molecular weight of 476.66 g/mol, XLogP of 4.46, 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-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide is sourced from PubChem (CID 30202134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).