N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide

C21H22F3NO3S — CID 78853831

IUPACN-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H22F3NO3S/c22-17-9-5-15(6-10-17)13-14-25(18-3-1-2-4-18)20(26)16-7-11-19(12-8-16)29(27,28)21(23)24/h5-12,18,21H,1-4,13-14H2
InChIKeyXORPGBYQVIOGDW-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.45
Rot. Bonds7

About N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide

N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 78853831) has the molecular formula C21H22F3NO3S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID78853831
Molecular FormulaC21H22F3NO3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC NameN-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H22F3NO3S/c22-17-9-5-15(6-10-17)13-14-25(18-3-1-2-4-18)20(26)16-7-11-19(12-8-16)29(27,28)21(23)24/h5-12,18,21H,1-4,13-14H2
InChIKeyXORPGBYQVIOGDW-UHFFFAOYSA-N
XLogP4.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 78853833
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
CID 78853764
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78853634
N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853544
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78853789
5-bromo-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]furan-3-carboxamide
CID 78853656
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 78853816
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 78853637
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2554943

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 78853831) is N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is XORPGBYQVIOGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3S/c22-17-9-5-15(6-10-17)13-14-25(18-3-1-2-4-18)20(26)16-7-11-19(12-8-16)29(27,28)21(23)24/h5-12,18,21H,1-4,13-14H2.
What are the key properties of N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 425.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 78853831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).