3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide

C12H13NOS2 — CID 10490982

IUPAC3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide
SMILESCC(C)Sc1c(C(N)=O)sc2ccccc12
InChIInChI=1S/C12H13NOS2/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)
InChIKeyLNXAXRKUWDEHNM-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.50
Rot. Bonds3

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

3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide (PubChem CID 10490982) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide
PubChem CID10490982
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC Name3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide
SMILESCC(C)Sc1c(C(N)=O)sc2ccccc12
InChIInChI=1S/C12H13NOS2/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)
InChIKeyLNXAXRKUWDEHNM-UHFFFAOYSA-N
XLogP3.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-ylsulfanyl-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

N-hydroxybenzo(b)thiophene-2-carboxamide
CID 11708207
3-Phenylthiophene-2-carboxamide
CID 22374565
1-Benzothiophene-2-carbohydrazide
CID 519437
3-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247020
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
5-(3-Ethylsulfanylphenyl)thiophene-2-Carboxamide
CID 91754987
7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide
CID 71714525
3-(Benzenesulfonyl)benzothiophene-2-carbohydroxamic acid
CID 118726040
N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide
CID 57658333
1-Benzothiophene-2-carboxamide
CID 237073
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxamide
CID 874691

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide (CID 10490982) is 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide is CC(C)Sc1c(C(N)=O)sc2ccccc12.
What is the InChIKey of 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide?
The InChIKey is LNXAXRKUWDEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/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-ylsulfanyl-1-benzothiophene-2-carboxamide?
3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide has a molecular weight of 251.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10490982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).