N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide

C13H19NO2S — CID 114751464

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CCO)CC2)c(C)s1
InChIInChI=1S/C13H19NO2S/c1-9-7-11(10(2)17-9)12(16)14-8-13(3-4-13)5-6-15/h7,15H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyHBTAVHQIWSZARS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.26
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 114751464) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID114751464
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CCO)CC2)c(C)s1
InChIInChI=1S/C13H19NO2S/c1-9-7-11(10(2)17-9)12(16)14-8-13(3-4-13)5-6-15/h7,15H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyHBTAVHQIWSZARS-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-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

Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,4,6-trimethylbenzamide
CID 114751380
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 114751448
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
CID 114751787
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
N-[2-(ethylamino)-2-oxoethyl]-2,5-dimethylthiophene-3-carboxamide
CID 39969728
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-methyl-3-nitrobenzamide
CID 114751351

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide (CID 114751464) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NCC2(CCO)CC2)c(C)s1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is HBTAVHQIWSZARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-7-11(10(2)17-9)12(16)14-8-13(3-4-13)5-6-15/h7,15H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 114751464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).