1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea

C24H27N3O4S — CID 112834645

IUPAC1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C24H27N3O4S/c28-24(26-23(21-13-9-17-31-21)19-10-3-1-4-11-19)25-18-20-12-5-6-14-22(20)32(29,30)27-15-7-2-8-16-27/h1,3-6,9-14,17,23H,2,7-8,15-16,18H2,(H2,25,26,28)
InChIKeyKKXCBQMXIHKJNT-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.04
Rot. Bonds7

About 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea

1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea (PubChem CID 112834645) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
PubChem CID112834645
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C24H27N3O4S/c28-24(26-23(21-13-9-17-31-21)19-10-3-1-4-11-19)25-18-20-12-5-6-14-22(20)32(29,30)27-15-7-2-8-16-27/h1,3-6,9-14,17,23H,2,7-8,15-16,18H2,(H2,25,26,28)
InChIKeyKKXCBQMXIHKJNT-UHFFFAOYSA-N
XLogP4.04
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112829659
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25491593
1-[(1S)-1-(4-methylphenyl)propyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25487466
1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36967089
4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide
CID 120920802
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111123792
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
1-benzyl-2-methyl-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110952470
2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119700333
2-amino-2-(oxan-4-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 120785303

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea (CID 112834645) is 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea is O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
The InChIKey is KKXCBQMXIHKJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c28-24(26-23(21-13-9-17-31-21)19-10-3-1-4-11-19)25-18-20-12-5-6-14-22(20)32(29,30)27-15-7-2-8-16-27/h1,3-6,9-14,17,23H,2,7-8,15-16,18H2,(H2,25,26,28).
What are the key properties of 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea has a molecular weight of 453.56 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 112834645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).