3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide

C14H16N2O2S2 — CID 103065143

IUPAC3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cccc2sc(C(=O)NC3CCSC3)c(N)c12
InChIInChI=1S/C14H16N2O2S2/c1-18-9-3-2-4-10-11(9)12(15)13(20-10)14(17)16-8-5-6-19-7-8/h2-4,8H,5-7,15H2,1H3,(H,16,17)
InChIKeyGNBAKSPXGNQEKA-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.73
Rot. Bonds3

About 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide

3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 103065143) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID103065143
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cccc2sc(C(=O)NC3CCSC3)c(N)c12
InChIInChI=1S/C14H16N2O2S2/c1-18-9-3-2-4-10-11(9)12(15)13(20-10)14(17)16-8-5-6-19-7-8/h2-4,8H,5-7,15H2,1H3,(H,16,17)
InChIKeyGNBAKSPXGNQEKA-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,6-dimethyl-N-(thiolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 103065140
3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
CID 103062202
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694
3-amino-4-bromo-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 114888956
ethyl 4-methoxy-3-methyl-1-benzothiophene-2-carboxylate
CID 155577564
3-amino-4-bromo-N-(thian-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114889327
2-amino-6-chloro-N-(thiolan-3-yl)benzamide
CID 103062170
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 79510859
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
N-(thiolan-3-yl)furan-2-carboxamide
CID 103708637

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide (CID 103065143) is 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide is COc1cccc2sc(C(=O)NC3CCSC3)c(N)c12.
What is the InChIKey of 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is GNBAKSPXGNQEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-18-9-3-2-4-10-11(9)12(15)13(20-10)14(17)16-8-5-6-19-7-8/h2-4,8H,5-7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103065143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).