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

C20H24N2O6S — CID 134258190

IUPAC1-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
SMILESCc1oc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCO4)CCC3)cc1C(C)(C)O
InChIInChI=1S/C20H24N2O6S/c1-11-15(20(2,3)24)10-17(28-11)29(25,26)22-19(23)21-18-13-6-4-5-12(13)9-16-14(18)7-8-27-16/h9-10,24H,4-8H2,1-3H3,(H2,21,22,23)
InChIKeyHYFWSYLRZVRWRW-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.75
Rot. Bonds4

About 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

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 (PubChem CID 134258190) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
PubChem CID134258190
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name1-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
SMILESCc1oc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCO4)CCC3)cc1C(C)(C)O
InChIInChI=1S/C20H24N2O6S/c1-11-15(20(2,3)24)10-17(28-11)29(25,26)22-19(23)21-18-13-6-4-5-12(13)9-16-14(18)7-8-27-16/h9-10,24H,4-8H2,1-3H3,(H2,21,22,23)
InChIKeyHYFWSYLRZVRWRW-UHFFFAOYSA-N
XLogP2.75
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(3-methylfuran-2-yl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
CID 166756495
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)sulfonyl]urea
CID 166496178
1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea
CID 147589499
5-[(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoylsulfamoyl]-2-methylfuran-3-carboxylic acid
CID 170717755
5-[(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)sulfonimidoyl]-2-methylfuran-3-carboxylic acid
CID 170717716
1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate
CID 138571982
1-(4,6-dimethylpyrimidin-5-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076553
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylimino-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfanium
CID 163789145
CID 175753214
CID 175753214
1-[5-(azetidin-3-yloxymethyl)-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 170717811

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1oc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCO4)CCC3)cc1C(C)(C)O.
What is the InChIKey of 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?
The InChIKey is HYFWSYLRZVRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-11-15(20(2,3)24)10-17(28-11)29(25,26)22-19(23)21-18-13-6-4-5-12(13)9-16-14(18)7-8-27-16/h9-10,24H,4-8H2,1-3H3,(H2,21,22,23).
What are the key properties of 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?
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 has a molecular weight of 420.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134258190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).