4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide

C18H16FN3OS — CID 71856751

IUPAC4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)Cc2cnccn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c1-12-16(13-3-5-14(19)6-4-13)9-17(24-12)18(23)22(2)11-15-10-20-7-8-21-15/h3-10H,11H2,1-2H3
InChIKeyIFAPNVURCZWRIE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.92
Rot. Bonds4

About 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide

4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 71856751) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID71856751
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)Cc2cnccn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c1-12-16(13-3-5-14(19)6-4-13)9-17(24-12)18(23)22(2)11-15-10-20-7-8-21-15/h3-10H,11H2,1-2H3
InChIKeyIFAPNVURCZWRIE-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide
CID 86778846
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119444644
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
3-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 95969377
4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 97050777
4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 123270984
6-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]hexanoic acid
CID 119352190
N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
CID 50983286
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
CID 119403968
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 154754970
2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 50951637

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide (CID 71856751) is 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(C)Cc2cnccn2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is IFAPNVURCZWRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12-16(13-3-5-14(19)6-4-13)9-17(24-12)18(23)22(2)11-15-10-20-7-8-21-15/h3-10H,11H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide?
4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 71856751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).