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

C15H14FNO3S — CID 88672107

IUPACN-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(OCC2CO2)c(F)c1
InChIInChI=1S/C15H14FNO3S/c16-13-6-10(3-4-14(13)20-9-11-8-19-11)17-15(18)7-12-2-1-5-21-12/h1-6,11H,7-9H2,(H,17,18)
InChIKeyORIBSADSHMDINX-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds6

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

N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 88672107) 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-2-ylacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
PubChem CID88672107
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(OCC2CO2)c(F)c1
InChIInChI=1S/C15H14FNO3S/c16-13-6-10(3-4-14(13)20-9-11-8-19-11)17-15(18)7-12-2-1-5-21-12/h1-6,11H,7-9H2,(H,17,18)
InChIKeyORIBSADSHMDINX-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-(2-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 670141
N-(4-Ethoxy-phenyl)-3-[(2-thiophen-2-yl-acetyl)-hydrazono]-butyramide
CID 9594049
N-(3-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 898929
N-(3-methoxyphenyl)-2-(thiophen-2-yl)acetamide
CID 649716
3-[(cyanomethyl)sulfanyl]-N-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 2766965
N-[4-(hexyloxy)phenyl]thiophene-2-carboxamide
CID 3905653
N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide
CID 4949779
Acetamide, N-(4-methoxyphenyl)-2-(2-thienyl)-
CID 531786
N-(2-methoxyphenyl)-2-(2-thienyl)acetamide
CID 779612
{4-[(Thiophene-2-carbonyl)-amino]-phenoxy}-acetic acid
CID 774598

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide (CID 88672107) is N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(OCC2CO2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is ORIBSADSHMDINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-13-6-10(3-4-14(13)20-9-11-8-19-11)17-15(18)7-12-2-1-5-21-12/h1-6,11H,7-9H2,(H,17,18).
What are the key properties of N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
N-[3-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-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-2-ylacetamide is sourced from PubChem (CID 88672107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).