2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C15H21NO3S — CID 2218436

IUPAC2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOCCSc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H21NO3S/c1-18-9-10-20-14-7-3-2-6-13(14)15(17)16-11-12-5-4-8-19-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyVVXJPSDSOCKAKB-GFCCVEGCSA-N
MW295.40 g/mol
LogP2.33
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 2218436) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID2218436
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOCCSc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H21NO3S/c1-18-9-10-20-14-7-3-2-6-13(14)15(17)16-11-12-5-4-8-19-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyVVXJPSDSOCKAKB-GFCCVEGCSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41066122
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51339938
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-[2-(2-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 46562523
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
CID 43016040
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 94016602
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 2218436) is 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COCCSc1ccccc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is VVXJPSDSOCKAKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-18-9-10-20-14-7-3-2-6-13(14)15(17)16-11-12-5-4-8-19-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 295.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 2218436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).