1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea

C17H21N3O4S — CID 2810413

IUPAC1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
InChIKeyLVOVQRPAMXCXTM-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea

1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea (PubChem CID 2810413) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea
PubChem CID2810413
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
InChIKeyLVOVQRPAMXCXTM-UHFFFAOYSA-N
XLogP3.41
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid dimethylamide
CID 44569906

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea?
The IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea (CID 2810413) is 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea is Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea?
The InChIKey is LVOVQRPAMXCXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea?
1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea has a molecular weight of 363.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea is sourced from PubChem (CID 2810413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).