2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide

C14H19NO4S — CID 2952397

IUPAC2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO4S/c16-14(15-9-13-7-4-8-19-13)11-20(17,18)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16)
InChIKeySEECKYRZCSJNDE-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.90
Rot. Bonds6

About 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide

2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2952397) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2952397
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO4S/c16-14(15-9-13-7-4-8-19-13)11-20(17,18)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16)
InChIKeySEECKYRZCSJNDE-UHFFFAOYSA-N
XLogP0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 651955
3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 2948475
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2963958
3-[(4-methylbenzyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3237021
2-[(4-methylphenyl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3144141
N-(3-isopropoxypropyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 3240374
3-benzylsulfonyl-N-(oxolan-2-ylmethyl)propanamide
CID 2974815
2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2896894
3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4524432
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16496027
2-[(3-methylphenyl)methylsulfonyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 45891821
2-[(4-methylphenyl)methylsulfonyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 45892041

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide (CID 2952397) is 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide is O=C(CS(=O)(=O)Cc1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SEECKYRZCSJNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(15-9-13-7-4-8-19-13)11-20(17,18)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16).
What are the key properties of 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide?
2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2952397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).