3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

C15H14N2O2S2 — CID 81302164

IUPAC3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NCc3ccsc3)sc2c1
InChIInChI=1S/C15H14N2O2S2/c1-19-10-2-3-11-12(6-10)21-14(13(11)16)15(18)17-7-9-4-5-20-8-9/h2-6,8H,7,16H2,1H3,(H,17,18)
InChIKeyTZZPFASURVXIOM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.48
Rot. Bonds4

About 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 81302164) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID81302164
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NCc3ccsc3)sc2c1
InChIInChI=1S/C15H14N2O2S2/c1-19-10-2-3-11-12(6-10)21-14(13(11)16)15(18)17-7-9-4-5-20-8-9/h2-6,8H,7,16H2,1H3,(H,17,18)
InChIKeyTZZPFASURVXIOM-UHFFFAOYSA-N
XLogP3.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114896598
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 81301548
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301247
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301246
3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81309556
3-amino-N-but-3-yn-2-yl-6-methoxy-1-benzothiophene-2-carboxamide
CID 114420596
3-amino-5-methyl-N-(2-thiophen-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932272
3-amino-N,N-bis(cyanomethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300692
3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 81301403
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 23654372

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 81302164) is 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is COc1ccc2c(N)c(C(=O)NCc3ccsc3)sc2c1.
What is the InChIKey of 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is TZZPFASURVXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-19-10-2-3-11-12(6-10)21-14(13(11)16)15(18)17-7-9-4-5-20-8-9/h2-6,8H,7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81302164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).