N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

C14H21NO2S — CID 60717923

IUPACN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCCC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C14H21NO2S/c1-2-5-14(16)15(10-12-6-3-8-17-12)11-13-7-4-9-18-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3
InChIKeyNGUCHGQPMWCGOO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.06
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 60717923) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID60717923
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCCC(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C14H21NO2S/c1-2-5-14(16)15(10-12-6-3-8-17-12)11-13-7-4-9-18-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3
InChIKeyNGUCHGQPMWCGOO-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide 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-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
2-amino-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pentanamide
CID 60936821
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
3-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55567666
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55595482
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 60717923) is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is CCCC(=O)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is NGUCHGQPMWCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-5-14(16)15(10-12-6-3-8-17-12)11-13-7-4-9-18-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 267.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 60717923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).