1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate

C23H27NO6S — CID 138571982

IUPAC1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate
SMILESCC(C)(O)c1cc(S(=O)(=O)NC(=O)Oc2c3c(cc4c2CCC4)CCC3)oc1C1CC1
InChIInChI=1S/C23H27NO6S/c1-23(2,26)18-12-19(29-20(18)13-9-10-13)31(27,28)24-22(25)30-21-16-7-3-5-14(16)11-15-6-4-8-17(15)21/h11-13,26H,3-10H2,1-2H3,(H,24,25)
InChIKeySCOFDJVVRUQERU-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.84
Rot. Bonds5

About 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate

1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate (PubChem CID 138571982) has the molecular formula C23H27NO6S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate
PubChem CID138571982
Molecular FormulaC23H27NO6S
Molecular Weight445.54 g/mol
Exact Mass445.16
IUPAC Name1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate
SMILESCC(C)(O)c1cc(S(=O)(=O)NC(=O)Oc2c3c(cc4c2CCC4)CCC3)oc1C1CC1
InChIInChI=1S/C23H27NO6S/c1-23(2,26)18-12-19(29-20(18)13-9-10-13)31(27,28)24-22(25)30-21-16-7-3-5-14(16)11-15-6-4-8-17(15)21/h11-13,26H,3-10H2,1-2H3,(H,24,25)
InChIKeySCOFDJVVRUQERU-UHFFFAOYSA-N
XLogP3.84
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
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-[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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(1S,8R)-7-hydroxy-3-oxatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl]sulfonyl]urea
CID 155578059
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-(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
1-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)-3-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 156857503
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4-hydroxy-6-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)sulfonyl]urea
CID 155578007
1-(3,5-dimethylmorpholin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 130356184
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
1-(7-fluoro-5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea
CID 156857584
1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea
CID 147589499
CID 175947056
CID 175947056

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate?
The IUPAC name of 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) is 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate.
What is the SMILES notation for 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate?
The canonical SMILES for 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate is CC(C)(O)c1cc(S(=O)(=O)NC(=O)Oc2c3c(cc4c2CCC4)CCC3)oc1C1CC1.
What is the InChIKey of 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate?
The InChIKey is SCOFDJVVRUQERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6S/c1-23(2,26)18-12-19(29-20(18)13-9-10-13)31(27,28)24-22(25)30-21-16-7-3-5-14(16)11-15-6-4-8-17(15)21/h11-13,26H,3-10H2,1-2H3,(H,24,25).
What are the key properties of 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate?
1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate has a molecular weight of 445.54 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate is sourced from PubChem (CID 138571982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).