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

C15H13FN2O2S — CID 114840612

IUPAC3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2C#CCN)ccc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-9-11(4-5-12(13)16)18-15(19)14-10(3-2-7-17)6-8-21-14/h4-6,8-9H,7,17H2,1H3,(H,18,19)
InChIKeyUPXYBKVCUDQCAK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.46
Rot. Bonds3

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

3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 114840612) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID114840612
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2C#CCN)ccc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-9-11(4-5-12(13)16)18-15(19)14-10(3-2-7-17)6-8-21-14/h4-6,8-9H,7,17H2,1H3,(H,18,19)
InChIKeyUPXYBKVCUDQCAK-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.46
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

N-(4-fluoro-3-methoxyphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 114840609
3-(3-aminoprop-1-ynyl)-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82860765
3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 63799155
3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 63799848
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840611
3-(3-aminoprop-1-ynyl)-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 107370246
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797802
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 42645473
3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide
CID 63801072
3-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63801441
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide (CID 114840612) is 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2sccc2C#CCN)ccc1F.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is UPXYBKVCUDQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-20-13-9-11(4-5-12(13)16)18-15(19)14-10(3-2-7-17)6-8-21-14/h4-6,8-9H,7,17H2,1H3,(H,18,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 114840612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).