4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide

C20H25FN2O3S — CID 19062205

IUPAC4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-4-5-14-22-20(24)17-8-12-19(13-9-17)23(27(2,25)26)15-16-6-10-18(21)11-7-16/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyAWTLPMIGQRHWSU-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.71
Rot. Bonds9

About 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide

4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide (PubChem CID 19062205) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
PubChem CID19062205
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-4-5-14-22-20(24)17-8-12-19(13-9-17)23(27(2,25)26)15-16-6-10-18(21)11-7-16/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyAWTLPMIGQRHWSU-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
CID 41454674
2-[[4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 19062210
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
N-butyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132945035
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 19062213
4-(dimethylamino)-N-pentylbenzamide
CID 21064504

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide (CID 19062205) is 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide is CCCCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide?
The InChIKey is AWTLPMIGQRHWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-4-5-14-22-20(24)17-8-12-19(13-9-17)23(27(2,25)26)15-16-6-10-18(21)11-7-16/h6-13H,3-5,14-15H2,1-2H3,(H,22,24).
What are the key properties of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide?
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide is sourced from PubChem (CID 19062205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).