3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide

C16H22FNO4S — CID 87016892

IUPAC3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO4S/c17-13-7-5-12(6-8-13)15(19)11-18-16(20)9-10-23(21,22)14-3-1-2-4-14/h5-8,14-15,19H,1-4,9-11H2,(H,18,20)
InChIKeyUUINWSNNOBUVQC-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.72
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide

3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide (PubChem CID 87016892) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
PubChem CID87016892
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO4S/c17-13-7-5-12(6-8-13)15(19)11-18-16(20)9-10-23(21,22)14-3-1-2-4-14/h5-8,14-15,19H,1-4,9-11H2,(H,18,20)
InChIKeyUUINWSNNOBUVQC-UHFFFAOYSA-N
XLogP1.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 90581766
3-cyclopentylsulfonyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]propanamide
CID 55755956
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopentylsulfonylpropanamide
CID 71895035
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97195508
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97206604

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide (CID 87016892) is 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide is O=C(CCS(=O)(=O)C1CCCC1)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The InChIKey is UUINWSNNOBUVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c17-13-7-5-12(6-8-13)15(19)11-18-16(20)9-10-23(21,22)14-3-1-2-4-14/h5-8,14-15,19H,1-4,9-11H2,(H,18,20).
What are the key properties of 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide has a molecular weight of 343.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 87016892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).