1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea

C20H30FN3O3S — CID 50822758

IUPAC1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
SMILESO=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C20H30FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)24-14-11-16(12-15-24)10-13-22-20(25)23-18-4-2-1-3-5-18/h6-9,16,18H,1-5,10-15H2,(H2,22,23,25)
InChIKeyFTSIWZUTIBEVGQ-UHFFFAOYSA-N
MW411.54 g/mol
LogP3.25
Rot. Bonds6

About 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea

1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea (PubChem CID 50822758) has the molecular formula C20H30FN3O3S and a molecular weight of 411.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
PubChem CID50822758
Molecular FormulaC20H30FN3O3S
Molecular Weight411.54 g/mol
Exact Mass411.20
IUPAC Name1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
SMILESO=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C20H30FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)24-14-11-16(12-15-24)10-13-22-20(25)23-18-4-2-1-3-5-18/h6-9,16,18H,1-5,10-15H2,(H2,22,23,25)
InChIKeyFTSIWZUTIBEVGQ-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]urea
CID 173136881
1-cyclohexyl-3-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]urea
CID 16614919
1-cyclooctyl-3-[[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]methyl]urea
CID 173136198
1-[[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-cyclooctylurea
CID 173136543
N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 9450836
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493229
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
1-tert-butyl-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280389
1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
CID 3562031

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea (CID 50822758) is 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea is O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
The InChIKey is FTSIWZUTIBEVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)24-14-11-16(12-15-24)10-13-22-20(25)23-18-4-2-1-3-5-18/h6-9,16,18H,1-5,10-15H2,(H2,22,23,25).
What are the key properties of 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea?
1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea has a molecular weight of 411.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea is sourced from PubChem (CID 50822758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).