N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide

C10H13F2NO2S — CID 107482420

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2NO2S/c1-7-5-16-6-8(7)10(15)13(2-3-14)4-9(11)12/h5-6,9,14H,2-4H2,1H3
InChIKeyZNTMAJCLVCOSCD-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.76
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide (PubChem CID 107482420) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
PubChem CID107482420
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2NO2S/c1-7-5-16-6-8(7)10(15)13(2-3-14)4-9(11)12/h5-6,9,14H,2-4H2,1H3
InChIKeyZNTMAJCLVCOSCD-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide (CID 107482420) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
The InChIKey is ZNTMAJCLVCOSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-7-5-16-6-8(7)10(15)13(2-3-14)4-9(11)12/h5-6,9,14H,2-4H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 107482420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).