N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide

C15H16FNOS — CID 103731815

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(C)cc2F)s1
InChIInChI=1S/C15H16FNOS/c1-3-11-5-6-12(19-11)9-17-15(18)13-7-4-10(2)8-14(13)16/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyLVYNIDCQLTYNJA-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.69
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide

N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide (PubChem CID 103731815) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
PubChem CID103731815
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(C)cc2F)s1
InChIInChI=1S/C15H16FNOS/c1-3-11-5-6-12(19-11)9-17-15(18)13-7-4-10(2)8-14(13)16/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyLVYNIDCQLTYNJA-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
CID 106544261
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
methyl 2-[(5-ethylthiophen-2-yl)methylamino]-5-methylbenzoate
CID 63428059
N-[(5-ethylthiophen-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008846
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide (CID 103731815) is N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide is CCc1ccc(CNC(=O)c2ccc(C)cc2F)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide?
The InChIKey is LVYNIDCQLTYNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-3-11-5-6-12(19-11)9-17-15(18)13-7-4-10(2)8-14(13)16/h4-8H,3,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide has a molecular weight of 277.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 103731815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).