5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

C17H19FN2O2S — CID 86851976

IUPAC5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)CCc2ccc(F)cc2)s1
InChIInChI=1S/C17H19FN2O2S/c1-12(21)19-11-15-7-8-16(23-15)17(22)20(2)10-9-13-3-5-14(18)6-4-13/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyIXKDPFXRSGFFDO-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds6

About 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 86851976) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID86851976
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)CCc2ccc(F)cc2)s1
InChIInChI=1S/C17H19FN2O2S/c1-12(21)19-11-15-7-8-16(23-15)17(22)20(2)10-9-13-3-5-14(18)6-4-13/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyIXKDPFXRSGFFDO-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide 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

5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 86851993
4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 86601000
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 86832629
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate
CID 46644651
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 46644557
N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55384100
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 82171998
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 46692520

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 86851976) is 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is CC(=O)NCc1ccc(C(=O)N(C)CCc2ccc(F)cc2)s1.
What is the InChIKey of 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IXKDPFXRSGFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-12(21)19-11-15-7-8-16(23-15)17(22)20(2)10-9-13-3-5-14(18)6-4-13/h3-8H,9-11H2,1-2H3,(H,19,21).
What are the key properties of 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 86851976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).