5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide

C16H15FN2OS — CID 79691709

IUPAC5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(C#CCN)c1)c1cccc(F)c1
InChIInChI=1S/C16H15FN2OS/c1-2-19(14-6-3-5-13(17)10-14)16(20)12-9-15(21-11-12)7-4-8-18/h3,5-6,9-11H,2,8,18H2,1H3
InChIKeyADUHVKWMKUGVGZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.86
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide (PubChem CID 79691709) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide
PubChem CID79691709
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(C#CCN)c1)c1cccc(F)c1
InChIInChI=1S/C16H15FN2OS/c1-2-19(14-6-3-5-13(17)10-14)16(20)12-9-15(21-11-12)7-4-8-18/h3,5-6,9-11H,2,8,18H2,1H3
InChIKeyADUHVKWMKUGVGZ-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[(3-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 79691348
5-(3-aminoprop-1-ynyl)-N-(3-cyanophenyl)-N-methylthiophene-3-carboxamide
CID 79691893
N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
CID 112817546
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)thiophene-3-carboxamide
CID 79684369
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79684356
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide (CID 79691709) is 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide is CCN(C(=O)c1csc(C#CCN)c1)c1cccc(F)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide?
The InChIKey is ADUHVKWMKUGVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-2-19(14-6-3-5-13(17)10-14)16(20)12-9-15(21-11-12)7-4-8-18/h3,5-6,9-11H,2,8,18H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 79691709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).