5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide

C14H15NO2S — CID 54960567

IUPAC5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2CO)s1
InChIInChI=1S/C14H15NO2S/c1-2-11-7-8-13(18-11)14(17)15-12-6-4-3-5-10(12)9-16/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyJUTRXDBHKGFXQB-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.06
Rot. Bonds4

About 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide

5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide (PubChem CID 54960567) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
PubChem CID54960567
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2CO)s1
InChIInChI=1S/C14H15NO2S/c1-2-11-7-8-13(18-11)14(17)15-12-6-4-3-5-10(12)9-16/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyJUTRXDBHKGFXQB-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-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

N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 113274434
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
5-ethyl-N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide
CID 47123757
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
CID 64786376
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide (CID 54960567) is 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccccc2CO)s1.
What is the InChIKey of 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JUTRXDBHKGFXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-11-7-8-13(18-11)14(17)15-12-6-4-3-5-10(12)9-16/h3-8,16H,2,9H2,1H3,(H,15,17).
What are the key properties of 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 54960567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).