2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide

C24H25FN2O4S — CID 30205214

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25FN2O4S/c1-31-23-16-8-5-10-19(23)11-9-17-26-24(28)18-27(22-15-7-6-14-21(22)25)32(29,30)20-12-3-2-4-13-20/h2-8,10,12-16H,9,11,17-18H2,1H3,(H,26,28)
InChIKeyOBMCMWJXPPPDGG-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.78
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide (PubChem CID 30205214) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
PubChem CID30205214
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25FN2O4S/c1-31-23-16-8-5-10-19(23)11-9-17-26-24(28)18-27(22-15-7-6-14-21(22)25)32(29,30)20-12-3-2-4-13-20/h2-8,10,12-16H,9,11,17-18H2,1H3,(H,26,28)
InChIKeyOBMCMWJXPPPDGG-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.78
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-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209474
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30271846
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30203079
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30212432
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209081
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278169

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide (CID 30205214) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide is COc1ccccc1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
The InChIKey is OBMCMWJXPPPDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-31-23-16-8-5-10-19(23)11-9-17-26-24(28)18-27(22-15-7-6-14-21(22)25)32(29,30)20-12-3-2-4-13-20/h2-8,10,12-16H,9,11,17-18H2,1H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30205214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).