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

C17H19N3O5S — CID 39350148

IUPAC2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C17H19N3O5S/c21-16(19-12-13-5-4-10-25-13)11-15-17(22)18-8-9-20(15)26(23,24)14-6-2-1-3-7-14/h1-7,10,15H,8-9,11-12H2,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyGRODCWHAGWGVJR-HNNXBMFYSA-N
MW377.42 g/mol
LogP0.48
Rot. Bonds6

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

2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 39350148) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID39350148
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C17H19N3O5S/c21-16(19-12-13-5-4-10-25-13)11-15-17(22)18-8-9-20(15)26(23,24)14-6-2-1-3-7-14/h1-7,10,15H,8-9,11-12H2,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyGRODCWHAGWGVJR-HNNXBMFYSA-N
XLogP0.48
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.48
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-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 45494569
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95708264
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
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
N-(furan-2-ylmethyl)-2-[(1S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 92700548
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-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95718709

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 39350148) is 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide is O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GRODCWHAGWGVJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c21-16(19-12-13-5-4-10-25-13)11-15-17(22)18-8-9-20(15)26(23,24)14-6-2-1-3-7-14/h1-7,10,15H,8-9,11-12H2,(H,18,22)(H,19,21)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 377.42 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 39350148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).