2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide

C14H19NO2S — CID 114130503

IUPAC2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCCC1CCOC1
InChIInChI=1S/C14H19NO2S/c1-10-2-3-12(18)8-13(10)14(16)15-6-4-11-5-7-17-9-11/h2-3,8,11,18H,4-7,9H2,1H3,(H,15,16)
InChIKeyGLIXQLVCYYKUNG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide

2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide (PubChem CID 114130503) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
PubChem CID114130503
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCCC1CCOC1
InChIInChI=1S/C14H19NO2S/c1-10-2-3-12(18)8-13(10)14(16)15-6-4-11-5-7-17-9-11/h2-3,8,11,18H,4-7,9H2,1H3,(H,15,16)
InChIKeyGLIXQLVCYYKUNG-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 114130505
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
2-hydrazinyl-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114220716
2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
CID 70845928
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 144540979
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide (CID 114130503) is 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NCCC1CCOC1.
What is the InChIKey of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide?
The InChIKey is GLIXQLVCYYKUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-2-3-12(18)8-13(10)14(16)15-6-4-11-5-7-17-9-11/h2-3,8,11,18H,4-7,9H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide?
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide has a molecular weight of 265.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide is sourced from PubChem (CID 114130503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).