3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide

C14H20N2O3S — CID 115643278

IUPAC3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCC1(O)CCC1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-10(17)16-11(12-4-2-7-20-12)8-13(18)15-9-14(19)5-3-6-14/h2,4,7,11,19H,3,5-6,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyOOPHBRDACNTBKQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.35
Rot. Bonds6

About 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 115643278) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID115643278
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCC1(O)CCC1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-10(17)16-11(12-4-2-7-20-12)8-13(18)15-9-14(19)5-3-6-14/h2,4,7,11,19H,3,5-6,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyOOPHBRDACNTBKQ-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide 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

1-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449898
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide (CID 115643278) is 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCC1(O)CCC1)c1cccs1.
What is the InChIKey of 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is OOPHBRDACNTBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(17)16-11(12-4-2-7-20-12)8-13(18)15-9-14(19)5-3-6-14/h2,4,7,11,19H,3,5-6,8-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 115643278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).