5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

C12H13NO3S — CID 10106199

IUPAC5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(N)=O)sc2ccc(O)cc12
InChIInChI=1S/C12H13NO3S/c1-6(2)16-10-8-5-7(14)3-4-9(8)17-11(10)12(13)15/h3-6,14H,1-2H3,(H2,13,15)
InChIKeyKZXZTPXNSYQTLG-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.49
Rot. Bonds3

About 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 10106199) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
PubChem CID10106199
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(N)=O)sc2ccc(O)cc12
InChIInChI=1S/C12H13NO3S/c1-6(2)16-10-8-5-7(14)3-4-9(8)17-11(10)12(13)15/h3-6,14H,1-2H3,(H2,13,15)
InChIKeyKZXZTPXNSYQTLG-UHFFFAOYSA-N
XLogP2.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Isopropoxy-5-methoxybenzo(b)thiophene-2-carboxamide
CID 128677
N-(2-ethoxybenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168275200
5-methoxy-N-(2-propoxybenzoyl)-1-benzothiophene-2-carboxamide
CID 168288381
3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxylic acid methylamide
CID 10107659
6-Methoxy-3-(1-methylethoxy)benzo[b]thiophene-2-carboxamide
CID 10264843
7-Methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 11777631
5-Hydroxy-3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide
CID 10468202
N-ethyl-5-methoxy-3-(1-methylethoxy)benzo[b]thiophene-2-carboxamide
CID 10017280
5-Methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide
CID 10086944
3,5-Dimethoxy-1-benzothiophene-2-carboxamide
CID 10105576
3-Propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 10263482
5-Methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 10377381

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (CID 10106199) is 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is CC(C)Oc1c(C(N)=O)sc2ccc(O)cc12.
What is the InChIKey of 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is KZXZTPXNSYQTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-6(2)16-10-8-5-7(14)3-4-9(8)17-11(10)12(13)15/h3-6,14H,1-2H3,(H2,13,15).
What are the key properties of 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10106199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).