1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea

C17H26FN3O3S — CID 50822744

IUPAC1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-13(2)20-17(22)19-10-7-14-8-11-21(12-9-14)25(23,24)16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H2,19,20,22)
InChIKeyJCCXNEAJVFRGEH-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea

1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea (PubChem CID 50822744) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea
PubChem CID50822744
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-13(2)20-17(22)19-10-7-14-8-11-21(12-9-14)25(23,24)16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H2,19,20,22)
InChIKeyJCCXNEAJVFRGEH-UHFFFAOYSA-N
XLogP2.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyclamide
CID 12628
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
1-[(Z)-11-(benzenesulfonamido)undec-5-enyl]-3-pentylurea
CID 66556615
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107
1-Benzenesulfonyl-piperidine-4-carboxylic acid (1-methyl-butyl)-amide
CID 3156759
9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233947
N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26516405
N-(3-(cyclopropylamino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 8073313
1-(benzenesulfonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 802615
7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233877

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea (CID 50822744) is 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea?
The InChIKey is JCCXNEAJVFRGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-13(2)20-17(22)19-10-7-14-8-11-21(12-9-14)25(23,24)16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea?
1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea has a molecular weight of 371.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 50822744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).