5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide

C20H17F2NO2S — CID 97247084

IUPAC5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C20H17F2NO2S/c1-23(17(12-24)14-3-2-4-16(22)11-14)20(25)19-10-9-18(26-19)13-5-7-15(21)8-6-13/h2-11,17,24H,12H2,1H3/t17-/m0/s1
InChIKeyMYBMNJJXJHMYPD-KRWDZBQOSA-N
MW373.42 g/mol
LogP4.50
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide

5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide (PubChem CID 97247084) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide
PubChem CID97247084
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C20H17F2NO2S/c1-23(17(12-24)14-3-2-4-16(22)11-14)20(25)19-10-9-18(26-19)13-5-7-15(21)8-6-13/h2-11,17,24H,12H2,1H3/t17-/m0/s1
InChIKeyMYBMNJJXJHMYPD-KRWDZBQOSA-N
XLogP4.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-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

tert-butyl N-[1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860969
5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 111695059
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167828873
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669334
N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 56517770
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one
CID 43154048
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide (CID 97247084) is 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H](CO)c1cccc(F)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is MYBMNJJXJHMYPD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c1-23(17(12-24)14-3-2-4-16(22)11-14)20(25)19-10-9-18(26-19)13-5-7-15(21)8-6-13/h2-11,17,24H,12H2,1H3/t17-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 97247084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).