N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide

C15H21NO4S — CID 94175675

IUPACN-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(11-14-7-4-9-20-14)16-8-10-21(18,19)12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,16,17)/t14-/m0/s1
InChIKeyOJUHDUKLSWGSEO-AWEZNQCLSA-N
MW311.40 g/mol
LogP1.29
Rot. Bonds7

About N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide

N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 94175675) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID94175675
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(11-14-7-4-9-20-14)16-8-10-21(18,19)12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,16,17)/t14-/m0/s1
InChIKeyOJUHDUKLSWGSEO-AWEZNQCLSA-N
XLogP1.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94488951
1-(3-benzylsulfonylpropyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 111136713
N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
CID 113271343
3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 65157429
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 2974345
2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 94125516
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110627806
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
CID 71983019
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide (CID 94175675) is N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)NCCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is OJUHDUKLSWGSEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-15(11-14-7-4-9-20-14)16-8-10-21(18,19)12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,16,17)/t14-/m0/s1.
What are the key properties of N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide?
N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 311.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94175675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).