5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide

C15H14N2O2S — CID 61075838

IUPAC5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C#CCN)s2)cc1
InChIInChI=1S/C15H14N2O2S/c1-19-12-6-4-11(5-7-12)17-15(18)14-9-8-13(20-14)3-2-10-16/h4-9H,10,16H2,1H3,(H,17,18)
InChIKeyLMZFPQOCYFFWOR-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.32
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 61075838) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID61075838
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C#CCN)s2)cc1
InChIInChI=1S/C15H14N2O2S/c1-19-12-6-4-11(5-7-12)17-15(18)14-9-8-13(20-14)3-2-10-16/h4-9H,10,16H2,1H3,(H,17,18)
InChIKeyLMZFPQOCYFFWOR-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840611
5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 2741497
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 62002532
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(4-hydroxybut-1-ynyl)-N-(4-methoxyphenyl)thiophene-3-carboxamide
CID 79692599
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 61479130
5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 104592147
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 61075453

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide (CID 61075838) is 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(C#CCN)s2)cc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is LMZFPQOCYFFWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-12-6-4-11(5-7-12)17-15(18)14-9-8-13(20-14)3-2-10-16/h4-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 61075838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).