2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide

C16H22N2O5S — CID 154452803

IUPAC2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide
SMILESNC(=O)C(CC=O)(CS(=O)(=O)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c17-15(20)16(6-9-19,18-7-10-23-11-8-18)13-24(21,22)12-14-4-2-1-3-5-14/h1-5,9H,6-8,10-13H2,(H2,17,20)
InChIKeyDWGYGENCLJGFIN-UHFFFAOYSA-N
MW354.43 g/mol
LogP-0.25
Rot. Bonds8

About 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide

2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide (PubChem CID 154452803) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide
PubChem CID154452803
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide
SMILESNC(=O)C(CC=O)(CS(=O)(=O)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c17-15(20)16(6-9-19,18-7-10-23-11-8-18)13-24(21,22)12-14-4-2-1-3-5-14/h1-5,9H,6-8,10-13H2,(H2,17,20)
InChIKeyDWGYGENCLJGFIN-UHFFFAOYSA-N
XLogP-0.25
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
2-benzyl-2-morpholin-4-ylpropanedioic acid
CID 19736376
4-(benzylsulfonylmethyl)benzoic acid
CID 43444416
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
2-morpholin-4-yl-2-phenylpentanamide
CID 129053011
[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
(1R,2R,4R)-4-benzylsulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 142763383
2-(3-benzylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065206
4-(1-benzylsulfonyl-3,3-difluoroprop-1-en-2-yl)morpholine
CID 23239329
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one
CID 22623564

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide (CID 154452803) is 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide is NC(=O)C(CC=O)(CS(=O)(=O)Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide?
The InChIKey is DWGYGENCLJGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c17-15(20)16(6-9-19,18-7-10-23-11-8-18)13-24(21,22)12-14-4-2-1-3-5-14/h1-5,9H,6-8,10-13H2,(H2,17,20).
What are the key properties of 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide?
2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide has a molecular weight of 354.43 g/mol, XLogP of -0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylmethyl)-2-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 154452803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).