1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide

C19H23FN2O3S2 — CID 55907091

IUPAC1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C19H23FN2O3S2/c1-2-17(18-4-3-13-26-18)21-19(23)14-9-11-22(12-10-14)27(24,25)16-7-5-15(20)6-8-16/h3-8,13-14,17H,2,9-12H2,1H3,(H,21,23)
InChIKeyMKVLNHDODAWHOJ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 55907091) has the molecular formula C19H23FN2O3S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID55907091
Molecular FormulaC19H23FN2O3S2
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C19H23FN2O3S2/c1-2-17(18-4-3-13-26-18)21-19(23)14-9-11-22(12-10-14)27(24,25)16-7-5-15(20)6-8-16/h3-8,13-14,17H,2,9-12H2,1H3,(H,21,23)
InChIKeyMKVLNHDODAWHOJ-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 55907091) is 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is MKVLNHDODAWHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S2/c1-2-17(18-4-3-13-26-18)21-19(23)14-9-11-22(12-10-14)27(24,25)16-7-5-15(20)6-8-16/h3-8,13-14,17H,2,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55907091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).