N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide

C14H15FN2OS — CID 66384913

IUPACN-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cc(C)ccc1F
InChIInChI=1S/C14H15FN2OS/c1-9-3-4-11(15)13(7-9)16-8-14-12(5-6-19-14)17-10(2)18/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyKMKGYIPJHCFARS-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.77
Rot. Bonds4

About N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66384913) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66384913
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cc(C)ccc1F
InChIInChI=1S/C14H15FN2OS/c1-9-3-4-11(15)13(7-9)16-8-14-12(5-6-19-14)17-10(2)18/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyKMKGYIPJHCFARS-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66385169
N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
CID 107591392
N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
CID 66385208
N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 66385553
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66387949
3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide
CID 66387930
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
methyl 2-[(3-acetamidothiophen-2-yl)methylamino]-2-methylpropanoate
CID 66387556
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide (CID 66384913) is N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1cc(C)ccc1F.
What is the InChIKey of N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is KMKGYIPJHCFARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9-3-4-11(15)13(7-9)16-8-14-12(5-6-19-14)17-10(2)18/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66384913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).