2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H20N4O4S — CID 45494569

IUPAC2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C18H20N4O4S/c23-17(21-13-14-6-4-5-9-19-14)12-16-18(24)20-10-11-22(16)27(25,26)15-7-2-1-3-8-15/h1-9,16H,10-13H2,(H,20,24)(H,21,23)
InChIKeySMLJZSZQVXZZQQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.28
Rot. Bonds6

About 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 45494569) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID45494569
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C18H20N4O4S/c23-17(21-13-14-6-4-5-9-19-14)12-16-18(24)20-10-11-22(16)27(25,26)15-7-2-1-3-8-15/h1-9,16H,10-13H2,(H,20,24)(H,21,23)
InChIKeySMLJZSZQVXZZQQ-UHFFFAOYSA-N
XLogP0.28
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 51720530
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 39350148
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42655576
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 51718191
methyl 3-[[2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate
CID 51716885
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42065143
2-[(1R)-2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93076296
2-[2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53012695
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 45494569) is 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is SMLJZSZQVXZZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c23-17(21-13-14-6-4-5-9-19-14)12-16-18(24)20-10-11-22(16)27(25,26)15-7-2-1-3-8-15/h1-9,16H,10-13H2,(H,20,24)(H,21,23).
What are the key properties of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 45494569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).