2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide

C16H24N4O4S — CID 95722495

IUPAC2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
SMILESCNS(=O)(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C16H24N4O4S/c1-17-25(23,24)10-8-18-15(21)11-14-16(22)19-7-9-20(14)12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyDMYIIQNZXHWPSE-CQSZACIVSA-N
MW368.46 g/mol
LogP-0.96
Rot. Bonds8

About 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide

2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide (PubChem CID 95722495) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
PubChem CID95722495
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
SMILESCNS(=O)(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C16H24N4O4S/c1-17-25(23,24)10-8-18-15(21)11-14-16(22)19-7-9-20(14)12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyDMYIIQNZXHWPSE-CQSZACIVSA-N
XLogP-0.96
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 95149181
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95725614
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45224138
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
CID 56851921

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide?
The IUPAC name of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide (CID 95722495) is 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide is CNS(=O)(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide?
The InChIKey is DMYIIQNZXHWPSE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-17-25(23,24)10-8-18-15(21)11-14-16(22)19-7-9-20(14)12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide?
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of -0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide is sourced from PubChem (CID 95722495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).