2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide

C14H19NO2S — CID 125139619

IUPAC2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@H]1CCSC1
InChIInChI=1S/C14H19NO2S/c1-2-17-13-6-4-3-5-12(13)14(16)15-9-11-7-8-18-10-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyOAXYAMCWTHXBGN-LLVKDONJSA-N
MW265.38 g/mol
LogP2.57
Rot. Bonds5

About 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide

2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide (PubChem CID 125139619) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
PubChem CID125139619
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@H]1CCSC1
InChIInChI=1S/C14H19NO2S/c1-2-17-13-6-4-3-5-12(13)14(16)15-9-11-7-8-18-10-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyOAXYAMCWTHXBGN-LLVKDONJSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
CID 113275455
2-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625164
1-amino-N-(thiolan-3-ylmethyl)isoquinoline-4-carboxamide
CID 107298194
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107295633

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide (CID 125139619) is 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide is CCOc1ccccc1C(=O)NC[C@H]1CCSC1.
What is the InChIKey of 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide?
The InChIKey is OAXYAMCWTHXBGN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-17-13-6-4-3-5-12(13)14(16)15-9-11-7-8-18-10-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide?
2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide has a molecular weight of 265.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide is sourced from PubChem (CID 125139619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).