N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

C17H15FN2OS — CID 24624236

IUPACN-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C17H15FN2OS/c1-11-12(2)22-17(20-9-5-6-10-20)15(11)16(21)19-14-8-4-3-7-13(14)18/h3-10H,1-2H3,(H,19,21)
InChIKeyALUKUIFKZVAGQB-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.55
Rot. Bonds3

About N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 24624236) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID24624236
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC NameN-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C17H15FN2OS/c1-11-12(2)22-17(20-9-5-6-10-20)15(11)16(21)19-14-8-4-3-7-13(14)18/h3-10H,1-2H3,(H,19,21)
InChIKeyALUKUIFKZVAGQB-UHFFFAOYSA-N
XLogP4.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42569304
[1-(2-methylanilino)-1-oxopropan-2-yl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate
CID 55368682
4,5-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24624608
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
1-(2,5-difluorophenyl)-3-[1-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)ethyl]urea
CID 20885648
2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 23739793
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 9099189
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 51112604
N-(2-acetylphenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 46671123

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 24624236) is N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is Cc1sc(-n2cccc2)c(C(=O)Nc2ccccc2F)c1C.
What is the InChIKey of N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is ALUKUIFKZVAGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-11-12(2)22-17(20-9-5-6-10-20)15(11)16(21)19-14-8-4-3-7-13(14)18/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 24624236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).