N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide

C17H24FNO3S — CID 97053702

IUPACN-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCCC(=O)N[C@H](c1ccccc1F)C1CCCC1
InChIInChI=1S/C17H24FNO3S/c1-23(21,22)12-6-11-16(20)19-17(13-7-2-3-8-13)14-9-4-5-10-15(14)18/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyJLRWVPSRBOKDDW-KRWDZBQOSA-N
MW341.45 g/mol
LogP3.00
Rot. Bonds7

About N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide

N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide (PubChem CID 97053702) has the molecular formula C17H24FNO3S and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
PubChem CID97053702
Molecular FormulaC17H24FNO3S
Molecular Weight341.45 g/mol
Exact Mass341.15
IUPAC NameN-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCCC(=O)N[C@H](c1ccccc1F)C1CCCC1
InChIInChI=1S/C17H24FNO3S/c1-23(21,22)12-6-11-16(20)19-17(13-7-2-3-8-13)14-9-4-5-10-15(14)18/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyJLRWVPSRBOKDDW-KRWDZBQOSA-N
XLogP3.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166234080
N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide
CID 139013031
1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
CID 170579179
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 79438900
1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 96537537

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide (CID 97053702) is N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide is CS(=O)(=O)CCCC(=O)N[C@H](c1ccccc1F)C1CCCC1.
What is the InChIKey of N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is JLRWVPSRBOKDDW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24FNO3S/c1-23(21,22)12-6-11-16(20)19-17(13-7-2-3-8-13)14-9-4-5-10-15(14)18/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide?
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 341.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 97053702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).