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

C22H26FNO3S — CID 78853833

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)cc1
InChIInChI=1S/C22H26FNO3S/c1-28(26,27)16-18-6-10-19(11-7-18)22(25)24(21-4-2-3-5-21)15-14-17-8-12-20(23)13-9-17/h6-13,21H,2-5,14-16H2,1H3
InChIKeyFJOBVURZICXJIF-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.00
Rot. Bonds7

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

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 78853833) has the molecular formula C22H26FNO3S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID78853833
Molecular FormulaC22H26FNO3S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)cc1
InChIInChI=1S/C22H26FNO3S/c1-28(26,27)16-18-6-10-19(11-7-18)22(25)24(21-4-2-3-5-21)15-14-17-8-12-20(23)13-9-17/h6-13,21H,2-5,14-16H2,1H3
InChIKeyFJOBVURZICXJIF-UHFFFAOYSA-N
XLogP4.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853831
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
CID 78853764
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide
CID 43576669
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78853634
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 78853637
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-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853544
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78853789

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (CID 78853833) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is FJOBVURZICXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3S/c1-28(26,27)16-18-6-10-19(11-7-18)22(25)24(21-4-2-3-5-21)15-14-17-8-12-20(23)13-9-17/h6-13,21H,2-5,14-16H2,1H3.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 403.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 78853833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).