2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

C16H24N2O2S — CID 116676200

IUPAC2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1cccs1)CC1CCCO1)C1CNC1
InChIInChI=1S/C16H24N2O2S/c1-12(13-8-17-9-13)16(19)18(10-14-4-2-6-20-14)11-15-5-3-7-21-15/h3,5,7,12-14,17H,2,4,6,8-11H2,1H3
InChIKeySKUNFTQONZSPIQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.11
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 116676200) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID116676200
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1cccs1)CC1CCCO1)C1CNC1
InChIInChI=1S/C16H24N2O2S/c1-12(13-8-17-9-13)16(19)18(10-14-4-2-6-20-14)11-15-5-3-7-21-15/h3,5,7,12-14,17H,2,4,6,8-11H2,1H3
InChIKeySKUNFTQONZSPIQ-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
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
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
4-(difluoromethylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55520684
4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55507704
2-amino-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pentanamide
CID 60936821
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60936615
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (CID 116676200) is 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)N(Cc1cccs1)CC1CCCO1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SKUNFTQONZSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(13-8-17-9-13)16(19)18(10-14-4-2-6-20-14)11-15-5-3-7-21-15/h3,5,7,12-14,17H,2,4,6,8-11H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 308.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 116676200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).