1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea

C17H20FN3O4S — CID 2810412

IUPAC1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22)
InChIKeyNEYVPAWWSHFUOH-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea

1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (PubChem CID 2810412) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
PubChem CID2810412
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22)
InChIKeyNEYVPAWWSHFUOH-UHFFFAOYSA-N
XLogP3.55
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk-264220A
CID 2810413
(2E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1326115
N-(4-chlorophenyl)-N'-[2-methyl-5-(piperidinosulfonyl)-3-furyl]urea
CID 2810411
N-(2-furylmethyl)-N'-[3-(4-morpholinylsulfonyl)phenyl]thiourea
CID 2955814
1-(2-Methyl-5-(morpholinosulfonyl)furan-3-yl)-3-phenylurea
CID 25181478
1-(4-Methoxyphenyl)-3-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 25181479
1-Benzhydryl-3-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 25265105
1-(2-Chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 44569828
(S)-1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-3-(1-phenylethyl)urea
CID 44569830
1-(2-Methyl-5-(4-methylpiperazin-1-ylsulfonyl)furan-3-yl)-3-phenylurea
CID 44569903
1-[5-[2-Methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea
CID 44569904
5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid phenylamide
CID 44569905

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (CID 2810412) is 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The InChIKey is NEYVPAWWSHFUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea has a molecular weight of 381.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is sourced from PubChem (CID 2810412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).