3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide

C20H30FN3O3S — CID 16801509

IUPAC3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
SMILESO=C(CCC1CCCC1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O3S/c21-18-6-8-19(9-7-18)23-12-14-24(15-13-23)28(26,27)16-11-22-20(25)10-5-17-3-1-2-4-17/h6-9,17H,1-5,10-16H2,(H,22,25)
InChIKeyVCHZKSSEZXOGBV-UHFFFAOYSA-N
MW411.54 g/mol
LogP2.36
Rot. Bonds8

About 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide

3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide (PubChem CID 16801509) has the molecular formula C20H30FN3O3S and a molecular weight of 411.54 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
PubChem CID16801509
Molecular FormulaC20H30FN3O3S
Molecular Weight411.54 g/mol
Exact Mass411.20
IUPAC Name3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
SMILESO=C(CCC1CCCC1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O3S/c21-18-6-8-19(9-7-18)23-12-14-24(15-13-23)28(26,27)16-11-22-20(25)10-5-17-3-1-2-4-17/h6-9,17H,1-5,10-16H2,(H,22,25)
InChIKeyVCHZKSSEZXOGBV-UHFFFAOYSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175197
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 18565403
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
CID 110306646
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide
CID 16801484

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide (CID 16801509) is 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide is O=C(CCC1CCCC1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The InChIKey is VCHZKSSEZXOGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3S/c21-18-6-8-19(9-7-18)23-12-14-24(15-13-23)28(26,27)16-11-22-20(25)10-5-17-3-1-2-4-17/h6-9,17H,1-5,10-16H2,(H,22,25).
What are the key properties of 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide has a molecular weight of 411.54 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide is sourced from PubChem (CID 16801509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).