5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide

C13H20N2O3S — CID 55081960

IUPAC5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-13(5-2,8-16)15-12(18)10-6-7-11(19-10)14-9(3)17/h6-7,16H,4-5,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyLKZCCYTZMHBIBO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.99
Rot. Bonds6

About 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide

5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide (PubChem CID 55081960) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
PubChem CID55081960
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-13(5-2,8-16)15-12(18)10-6-7-11(19-10)14-9(3)17/h6-7,16H,4-5,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyLKZCCYTZMHBIBO-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]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

5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103946183
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55209143
5-acetamido-N-[1-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 62525158
5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107232601
5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233
5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 65036927
5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
CID 103919192
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79252074
N-[3-(bromomethyl)pentan-3-yl]-5-methylthiophene-2-carboxamide
CID 114315214
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
5-acetamido-N-(4-ethyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 112698644

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide (CID 55081960) is 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide is CCC(CC)(CO)NC(=O)c1ccc(NC(C)=O)s1.
What is the InChIKey of 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
The InChIKey is LKZCCYTZMHBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-13(5-2,8-16)15-12(18)10-6-7-11(19-10)14-9(3)17/h6-7,16H,4-5,8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55081960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).