N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide

C16H18FNOS — CID 47367907

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2F)c(C)s1
InChIInChI=1S/C16H18FNOS/c1-10(8-13-6-4-5-7-15(13)17)18-16(19)14-9-11(2)20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyMOOKKPMFGGZZSI-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide

N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 47367907) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID47367907
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2F)c(C)s1
InChIInChI=1S/C16H18FNOS/c1-10(8-13-6-4-5-7-15(13)17)18-16(19)14-9-11(2)20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyMOOKKPMFGGZZSI-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95287399
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide (CID 47367907) is N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NC(C)Cc2ccccc2F)c(C)s1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is MOOKKPMFGGZZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-10(8-13-6-4-5-7-15(13)17)18-16(19)14-9-11(2)20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide?
N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 47367907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).