N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide

C21H27FN2O2S — CID 45186536

IUPACN-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C(Cc1ccccc1F)C1CCN(CCO)CC1
InChIInChI=1S/C21H27FN2O2S/c1-23(21(26)20-7-4-14-27-20)19(15-17-5-2-3-6-18(17)22)16-8-10-24(11-9-16)12-13-25/h2-7,14,16,19,25H,8-13,15H2,1H3
InChIKeyGHCDXQAPQZHWSC-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide

N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 45186536) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
PubChem CID45186536
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC NameN-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C(Cc1ccccc1F)C1CCN(CCO)CC1
InChIInChI=1S/C21H27FN2O2S/c1-23(21(26)20-7-4-14-27-20)19(15-17-5-2-3-6-18(17)22)16-8-10-24(11-9-16)12-13-25/h2-7,14,16,19,25H,8-13,15H2,1H3
InChIKeyGHCDXQAPQZHWSC-UHFFFAOYSA-N
XLogP3.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]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

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
N-benzyl-N-(propan-2-yl)thiophene-2-carboxamide
CID 668925
US9776991, Example 1
CID 139208210
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520
3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909953
5-(4-Fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-YL)ethyl]-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
CID 2910300
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2-fluorobenzamide
CID 3236467
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302
(2,5-Difluorophenyl){1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanone
CID 16188890

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide (CID 45186536) is N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)C(Cc1ccccc1F)C1CCN(CCO)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is GHCDXQAPQZHWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-23(21(26)20-7-4-14-27-20)19(15-17-5-2-3-6-18(17)22)16-8-10-24(11-9-16)12-13-25/h2-7,14,16,19,25H,8-13,15H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 390.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 45186536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).