5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide

C13H19NO2S — CID 80711832

IUPAC5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC2(CO)CC2)cc1C
InChIInChI=1S/C13H19NO2S/c1-3-10-9(2)6-11(17-10)12(16)14-7-13(8-15)4-5-13/h6,15H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyMWDHCDSSHYJQMY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.12
Rot. Bonds5

About 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide

5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 80711832) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID80711832
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC2(CO)CC2)cc1C
InChIInChI=1S/C13H19NO2S/c1-3-10-9(2)6-11(17-10)12(16)14-7-13(8-15)4-5-13/h6,15H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyMWDHCDSSHYJQMY-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-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

N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
N-[[1-(bromomethyl)cyclopropyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 115456441
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 114006203
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
CID 115701533
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
N-(3,3-difluoro-2-hydroxypropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 113258539
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888611
2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813055
N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113359984
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 114751448
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 114102246

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide (CID 80711832) is 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NCC2(CO)CC2)cc1C.
What is the InChIKey of 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is MWDHCDSSHYJQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-10-9(2)6-11(17-10)12(16)14-7-13(8-15)4-5-13/h6,15H,3-5,7-8H2,1-2H3,(H,14,16).
What are the key properties of 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide?
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 80711832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).