5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide

C15H16FNOS2 — CID 71958546

IUPAC5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCSCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNOS2/c1-19-10-2-9-17-15(18)14-8-7-13(20-14)11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyKLCVHJINAOZBOE-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.04
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide (PubChem CID 71958546) has the molecular formula C15H16FNOS2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
PubChem CID71958546
Molecular FormulaC15H16FNOS2
Molecular Weight309.43 g/mol
Exact Mass309.07
IUPAC Name5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCSCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNOS2/c1-19-10-2-9-17-15(18)14-8-7-13(20-14)11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyKLCVHJINAOZBOE-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]butanoate
CID 37258738
5-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 18111307
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
CID 9140377
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 21046287
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide (CID 71958546) is 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide is CSCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The InChIKey is KLCVHJINAOZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS2/c1-19-10-2-9-17-15(18)14-8-7-13(20-14)11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 71958546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).