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

C15H15FN2O2S — CID 4793713

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C15H15FN2O2S/c1-18(15(20)8-11-6-7-21-10-11)9-14(19)17-13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyCDYGVDCECWBXFT-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.53
Rot. Bonds5

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

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 4793713) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID4793713
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C15H15FN2O2S/c1-18(15(20)8-11-6-7-21-10-11)9-14(19)17-13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyCDYGVDCECWBXFT-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 531783
N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-[4-(Acetyl-methyl-amino)-phenyl]-2-thiophen-2-yl-acetamide
CID 670788
N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 4785348
N-(2-fluorophenyl)-2-thiophen-3-ylacetamide
CID 4805494
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 9266840
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 16327913
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 17413594
3-methyl-N-[2-(pyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 24983095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (CID 4793713) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is CDYGVDCECWBXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-18(15(20)8-11-6-7-21-10-11)9-14(19)17-13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 306.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4793713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).