3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide

C18H25FN2O3S — CID 55889543

IUPAC3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C18H25FN2O3S/c19-16-13-14(7-8-17(16)21-10-3-4-11-21)20-18(22)9-12-25(23,24)15-5-1-2-6-15/h7-8,13,15H,1-6,9-12H2,(H,20,22)
InChIKeyYMCHNPCXTNMVCL-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.11
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide

3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 55889543) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID55889543
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Name3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C18H25FN2O3S/c19-16-13-14(7-8-17(16)21-10-3-4-11-21)20-18(22)9-12-25(23,24)15-5-1-2-6-15/h7-8,13,15H,1-6,9-12H2,(H,20,22)
InChIKeyYMCHNPCXTNMVCL-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
4-(3,4-dimethylphenyl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxobutanamide
CID 55945815
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55756704
3-cyclopentylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 47045019
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443142
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide (CID 55889543) is 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is YMCHNPCXTNMVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c19-16-13-14(7-8-17(16)21-10-3-4-11-21)20-18(22)9-12-25(23,24)15-5-1-2-6-15/h7-8,13,15H,1-6,9-12H2,(H,20,22).
What are the key properties of 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 368.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 55889543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).