N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide

C16H18FNOS — CID 4828452

IUPACN-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(F)ccc2C)sc1C
InChIInChI=1S/C16H18FNOS/c1-4-5-12-8-15(20-11(12)3)16(19)18-14-9-13(17)7-6-10(14)2/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyRKHGUUDVLKUXNV-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.71
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 4828452) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID4828452
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(F)ccc2C)sc1C
InChIInChI=1S/C16H18FNOS/c1-4-5-12-8-15(20-11(12)3)16(19)18-14-9-13(17)7-6-10(14)2/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyRKHGUUDVLKUXNV-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9209398
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 26521783
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9370107
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574
N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9207791
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide
CID 112689244

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 4828452) is N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2cc(F)ccc2C)sc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is RKHGUUDVLKUXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-4-5-12-8-15(20-11(12)3)16(19)18-14-9-13(17)7-6-10(14)2/h6-9H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 4828452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).