(2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate

C14H12FNO3S — CID 86929256

IUPAC(2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCN(CC(=O)Oc1ccccc1F)C(=O)c1cccs1
InChIInChI=1S/C14H12FNO3S/c1-16(14(18)12-7-4-8-20-12)9-13(17)19-11-6-3-2-5-10(11)15/h2-8H,9H2,1H3
InChIKeySKZXXDNYRHAUGV-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.56
Rot. Bonds4

About (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate

(2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate (PubChem CID 86929256) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate
PubChem CID86929256
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name(2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCN(CC(=O)Oc1ccccc1F)C(=O)c1cccs1
InChIInChI=1S/C14H12FNO3S/c1-16(14(18)12-7-4-8-20-12)9-13(17)19-11-6-3-2-5-10(11)15/h2-8H,9H2,1H3
InChIKeySKZXXDNYRHAUGV-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-methylpentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704817
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704818
decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704823
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
bis(2-fluorophenyl) hexanedioate
CID 91704928
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55606291

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The IUPAC name of (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate (CID 86929256) is (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The canonical SMILES for (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate is CN(CC(=O)Oc1ccccc1F)C(=O)c1cccs1.
What is the InChIKey of (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The InChIKey is SKZXXDNYRHAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-16(14(18)12-7-4-8-20-12)9-13(17)19-11-6-3-2-5-10(11)15/h2-8H,9H2,1H3.
What are the key properties of (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate?
(2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate has a molecular weight of 293.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-[methyl(thiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 86929256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).