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

C15H13FN2O2S — CID 114840611

IUPAC5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C#CCN)s2)ccc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-9-10(4-6-12(13)16)18-15(19)14-7-5-11(21-14)3-2-8-17/h4-7,9H,8,17H2,1H3,(H,18,19)
InChIKeyIGDMNTUMZPEGMJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.46
Rot. Bonds3

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

5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 114840611) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID114840611
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C#CCN)s2)ccc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-9-10(4-6-12(13)16)18-15(19)14-7-5-11(21-14)3-2-8-17/h4-7,9H,8,17H2,1H3,(H,18,19)
InChIKeyIGDMNTUMZPEGMJ-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

5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 61075838
3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840612
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
CID 61076019
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-ethylthiophene-2-carboxamide
CID 104780839
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
5-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-3-carboxamide
CID 79696592
5-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79977854
N-(4-fluoro-3-methoxyphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 114840609
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide (CID 114840611) is 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(C#CCN)s2)ccc1F.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is IGDMNTUMZPEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-20-13-9-10(4-6-12(13)16)18-15(19)14-7-5-11(21-14)3-2-8-17/h4-7,9H,8,17H2,1H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide?
5-(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 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 114840611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).