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

C24H27N3O4S — CID 25265105

IUPAC1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O4S/c1-18-21(17-22(31-18)32(29,30)27-15-9-4-10-16-27)25-24(28)26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,17,23H,4,9-10,15-16H2,1H3,(H2,25,26,28)
InChIKeyKLEAMVCCOPHYFK-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.67
Rot. Bonds6

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

1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (PubChem CID 25265105) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
PubChem CID25265105
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O4S/c1-18-21(17-22(31-18)32(29,30)27-15-9-4-10-16-27)25-24(28)26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,17,23H,4,9-10,15-16H2,1H3,(H2,25,26,28)
InChIKeyKLEAMVCCOPHYFK-UHFFFAOYSA-N
XLogP4.67
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk-264220A
CID 2810413
N-(4-chlorophenyl)-N'-[2-methyl-5-(piperidinosulfonyl)-3-furyl]urea
CID 2810411
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
(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
1-(4-Fluorophenyl)-3-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]urea
CID 2810412
1-Phenyl-3-(5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 44569313
1-(2-Methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea
CID 44569370

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The IUPAC name of 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (CID 25265105) is 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The InChIKey is KLEAMVCCOPHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-18-21(17-22(31-18)32(29,30)27-15-9-4-10-16-27)25-24(28)26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,17,23H,4,9-10,15-16H2,1H3,(H2,25,26,28).
What are the key properties of 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea has a molecular weight of 453.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is sourced from PubChem (CID 25265105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).