N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide

C15H14FNO3S — CID 88672115

IUPACN-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(OCC2CO2)c(F)c1
InChIInChI=1S/C15H14FNO3S/c16-13-6-11(1-2-14(13)20-8-12-7-19-12)17-15(18)5-10-3-4-21-9-10/h1-4,6,9,12H,5,7-8H2,(H,17,18)
InChIKeyALQWKZGBUDFMEC-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds6

About N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide

N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 88672115) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide
PubChem CID88672115
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(OCC2CO2)c(F)c1
InChIInChI=1S/C15H14FNO3S/c16-13-6-11(1-2-14(13)20-8-12-7-19-12)17-15(18)5-10-3-4-21-9-10/h1-4,6,9,12H,5,7-8H2,(H,17,18)
InChIKeyALQWKZGBUDFMEC-UHFFFAOYSA-N
XLogP2.85
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
N-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 16234675
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 1218554
N-[4-(hexyloxy)phenyl]thiophene-2-carboxamide
CID 3905653
N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide
CID 4949779
[2-(4-Ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2359404
N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7217404
Acetamide, N-(4-methoxyphenyl)-2-(2-thienyl)-
CID 531786
N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 720221
N-(4-Ethoxyphenyl)-4-(thiophen-2-YL)oxane-4-carboxamide
CID 7243533

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide (CID 88672115) is N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccc(OCC2CO2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is ALQWKZGBUDFMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-13-6-11(1-2-14(13)20-8-12-7-19-12)17-15(18)5-10-3-4-21-9-10/h1-4,6,9,12H,5,7-8H2,(H,17,18).
What are the key properties of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide?
N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 307.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 88672115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).