2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide

C18H19N3O4S — CID 39311068

IUPAC2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H19N3O4S/c22-17(20-14-7-3-1-4-8-14)13-16-18(23)19-11-12-21(16)26(24,25)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeySYWWEMGCSXFKFV-INIZCTEOSA-N
MW373.43 g/mol
LogP1.20
Rot. Bonds5

About 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide

2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide (PubChem CID 39311068) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
PubChem CID39311068
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H19N3O4S/c22-17(20-14-7-3-1-4-8-14)13-16-18(23)19-11-12-21(16)26(24,25)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeySYWWEMGCSXFKFV-INIZCTEOSA-N
XLogP1.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 45495296
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2-oxochromen-6-yl)acetamide
CID 42656185
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 51718191
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 51720530
methyl 3-[[2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate
CID 51716885
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 45494569
2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 51718679
2-[(2R)-1-(3,4-dimethylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 92710403
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 39350148
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42655576

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide (CID 39311068) is 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The InChIKey is SYWWEMGCSXFKFV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-17(20-14-7-3-1-4-8-14)13-16-18(23)19-11-12-21(16)26(24,25)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,23)(H,20,22)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide has a molecular weight of 373.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 39311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).