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

C12H13NO2S — CID 10263482

IUPAC3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(N)=O)sc2ccccc12
InChIInChI=1S/C12H13NO2S/c1-7(2)15-10-8-5-3-4-6-9(8)16-11(10)12(13)14/h3-7H,1-2H3,(H2,13,14)
InChIKeyCFFZCNORNOXSTI-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.79
Rot. Bonds3

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

3-propan-2-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 10263482) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-propan-2-yloxy-1-benzothiophene-2-carboxamide
PubChem CID10263482
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(N)=O)sc2ccccc12
InChIInChI=1S/C12H13NO2S/c1-7(2)15-10-8-5-3-4-6-9(8)16-11(10)12(13)14/h3-7H,1-2H3,(H2,13,14)
InChIKeyCFFZCNORNOXSTI-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isopropoxy-5-methoxybenzo(b)thiophene-2-carboxamide
CID 128677
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-1-benzothiophen-2-yl)methanone
CID 137652255
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-phenylmethoxy-1-benzothiophen-2-yl)methanone
CID 137661487
N-(2-ethoxybenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168275200
5-methoxy-N-(2-propoxybenzoyl)-1-benzothiophene-2-carboxamide
CID 168288381
5-Hydroxy-3-isopropoxy-benzo[b]thiophene-2-carboxylic acid amide
CID 10106199
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
N-benzyl-3-(4-piperidyloxy)benzothiophene-2-carboxamide
CID 71545543
N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
CID 71586090
N-hydroxy-4-methoxy-1-benzothiophene-2-carboxamide
CID 71714529

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-propan-2-yloxy-1-benzothiophene-2-carboxamide (CID 10263482) is 3-propan-2-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-propan-2-yloxy-1-benzothiophene-2-carboxamide is CC(C)Oc1c(C(N)=O)sc2ccccc12.
What is the InChIKey of 3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is CFFZCNORNOXSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-7(2)15-10-8-5-3-4-6-9(8)16-11(10)12(13)14/h3-7H,1-2H3,(H2,13,14).
What are the key properties of 3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
3-propan-2-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10263482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).