5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one

C17H17NO2S — CID 61088505

IUPAC5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cc4c(s3)CCCC4)ccc2N1
InChIInChI=1S/C17H17NO2S/c19-16-9-12-7-11(5-6-13(12)18-16)17(20)15-8-10-3-1-2-4-14(10)21-15/h5-8,17,20H,1-4,9H2,(H,18,19)
InChIKeyCANZJCMRNSPNIW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.20
Rot. Bonds2

About 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one

5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 61088505) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID61088505
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cc4c(s3)CCCC4)ccc2N1
InChIInChI=1S/C17H17NO2S/c19-16-9-12-7-11(5-6-13(12)18-16)17(20)15-8-10-3-1-2-4-14(10)21-15/h5-8,17,20H,1-4,9H2,(H,18,19)
InChIKeyCANZJCMRNSPNIW-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
7-[(4,5-dimethylthiophen-2-yl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 65238894
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225
5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
5-[bromo(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096793
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one (CID 61088505) is 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3cc4c(s3)CCCC4)ccc2N1.
What is the InChIKey of 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is CANZJCMRNSPNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-16-9-12-7-11(5-6-13(12)18-16)17(20)15-8-10-3-1-2-4-14(10)21-15/h5-8,17,20H,1-4,9H2,(H,18,19).
What are the key properties of 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 299.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61088505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).