N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide

C17H19FN2O2S — CID 2477283

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1cccs1
InChIInChI=1S/C17H19FN2O2S/c1-20(17(22)9-3-7-15-8-4-10-23-15)12-16(21)19-14-6-2-5-13(18)11-14/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,19,21)
InChIKeyMBAZCLPYHVIKPU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide (PubChem CID 2477283) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide
PubChem CID2477283
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1cccs1
InChIInChI=1S/C17H19FN2O2S/c1-20(17(22)9-3-7-15-8-4-10-23-15)12-16(21)19-14-6-2-5-13(18)11-14/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,19,21)
InChIKeyMBAZCLPYHVIKPU-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 531783
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N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
N-Cyclopentyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
CID 3202856
N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56832448
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56923423
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057382
(2S)-N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057634

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide (CID 2477283) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1cccs1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide?
The InChIKey is MBAZCLPYHVIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-20(17(22)9-3-7-15-8-4-10-23-15)12-16(21)19-14-6-2-5-13(18)11-14/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide has a molecular weight of 334.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2477283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).