4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide

C17H14N2O2S2 — CID 138857432

IUPAC4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2c(-c3ccc(C(=O)NC4CC4)s3)cccc2s1
InChIInChI=1S/C17H14N2O2S2/c18-16(20)15-8-11-10(2-1-3-12(11)23-15)13-6-7-14(22-13)17(21)19-9-4-5-9/h1-3,6-9H,4-5H2,(H2,18,20)(H,19,21)
InChIKeyQYQDTYWXMRWCEU-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.62
Rot. Bonds4

About 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide

4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 138857432) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID138857432
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2c(-c3ccc(C(=O)NC4CC4)s3)cccc2s1
InChIInChI=1S/C17H14N2O2S2/c18-16(20)15-8-11-10(2-1-3-12(11)23-15)13-6-7-14(22-13)17(21)19-9-4-5-9/h1-3,6-9H,4-5H2,(H2,18,20)(H,19,21)
InChIKeyQYQDTYWXMRWCEU-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(3-Aminophenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 138857434
Dyrk1A/B-IN-1
CID 145946110
N-(1-benzothiophen-7-ylmethyl)-2-thiophenecarboxamide
CID 25105719
N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247020
N-(2-methoxyethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 1634749
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
6-(benzamidomethyl)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11359309
N-hydroxy-6-((2-phenylacetamido)methyl)benzo[b]thiophene-2-carboxamide
CID 11772176
N-hydroxy-6-((phenethylamino)methyl)benzo[b]thiophene-2-carboxamide
CID 44440692
6-N-benzyl-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
CID 44457031
N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide
CID 1477944
N-[2-(dimethylamino)ethyl]thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 16196314

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide (CID 138857432) is 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide is NC(=O)c1cc2c(-c3ccc(C(=O)NC4CC4)s3)cccc2s1.
What is the InChIKey of 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is QYQDTYWXMRWCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c18-16(20)15-8-11-10(2-1-3-12(11)23-15)13-6-7-14(22-13)17(21)19-9-4-5-9/h1-3,6-9H,4-5H2,(H2,18,20)(H,19,21).
What are the key properties of 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 138857432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).