1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea

C17H18N2O5S — CID 166756495

IUPAC1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
SMILESCc1ccoc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCO3)CCC2
InChIInChI=1S/C17H18N2O5S/c1-10-5-7-24-16(10)25(21,22)19-17(20)18-15-12-4-2-3-11(12)9-14-13(15)6-8-23-14/h5,7,9H,2-4,6,8H2,1H3,(H2,18,19,20)
InChIKeyBDXDGKYFHPISPY-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea

1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea (PubChem CID 166756495) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
PubChem CID166756495
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
SMILESCc1ccoc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCO3)CCC2
InChIInChI=1S/C17H18N2O5S/c1-10-5-7-24-16(10)25(21,22)19-17(20)18-15-12-4-2-3-11(12)9-14-13(15)6-8-23-14/h5,7,9H,2-4,6,8H2,1H3,(H2,18,19,20)
InChIKeyBDXDGKYFHPISPY-UHFFFAOYSA-N
XLogP2.52
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea with MolForge

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Related Compounds

1-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
CID 134258190
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
CID 175753214
CID 175753214
1-(4,6-dimethylpyrimidin-5-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076553
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
1-(3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135241185
1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403949
1-[4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 134247768
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide
CID 137404021
1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea
CID 145352517
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea?
The IUPAC name of 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea (CID 166756495) is 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea.
What is the SMILES notation for 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea?
The canonical SMILES for 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea is Cc1ccoc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCO3)CCC2.
What is the InChIKey of 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea?
The InChIKey is BDXDGKYFHPISPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-5-7-24-16(10)25(21,22)19-17(20)18-15-12-4-2-3-11(12)9-14-13(15)6-8-23-14/h5,7,9H,2-4,6,8H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea?
1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea has a molecular weight of 362.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea is sourced from PubChem (CID 166756495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).