N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C16H14FNO2S — CID 63796290

IUPACN-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1sccc1C#CCO)c1ccccc1F
InChIInChI=1S/C16H14FNO2S/c1-2-18(14-8-4-3-7-13(14)17)16(20)15-12(6-5-10-19)9-11-21-15/h3-4,7-9,11,19H,2,10H2,1H3
InChIKeyBKDAVYXPHUUXGI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.90
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 63796290) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID63796290
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC NameN-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1sccc1C#CCO)c1ccccc1F
InChIInChI=1S/C16H14FNO2S/c1-2-18(14-8-4-3-7-13(14)17)16(20)15-12(6-5-10-19)9-11-21-15/h3-4,7-9,11,19H,2,10H2,1H3
InChIKeyBKDAVYXPHUUXGI-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.90
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

3-(3-aminoprop-1-ynyl)-N-ethyl-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 63800057
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960346
N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798156
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-(2-ethoxyethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylthiophene-2-carboxamide
CID 81062453
3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 63797095
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 63798173
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83115570
3-(3-hydroxyprop-1-ynyl)-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 107642800
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 112663407
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 65042711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 63796290) is N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CCN(C(=O)c1sccc1C#CCO)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is BKDAVYXPHUUXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-2-18(14-8-4-3-7-13(14)17)16(20)15-12(6-5-10-19)9-11-21-15/h3-4,7-9,11,19H,2,10H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 63796290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).