2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide

C21H24N4O6S — CID 51718679

IUPAC2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N4O6S/c1-14(26)23-15-7-9-16(10-8-15)32(29,30)25-12-11-22-21(28)18(25)13-20(27)24-17-5-3-4-6-19(17)31-2/h3-10,18H,11-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyRHMAHZCRPNARSM-SFHVURJKSA-N
MW460.51 g/mol
LogP1.17
Rot. Bonds7

About 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide

2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 51718679) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID51718679
Molecular FormulaC21H24N4O6S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N4O6S/c1-14(26)23-15-7-9-16(10-8-15)32(29,30)25-12-11-22-21(28)18(25)13-20(27)24-17-5-3-4-6-19(17)31-2/h3-10,18H,11-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyRHMAHZCRPNARSM-SFHVURJKSA-N
XLogP1.17
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[4-[(2R)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 40933065
2-[(2R)-1-(3,4-dimethylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 92710403
(2S)-N-(3,4-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 2014037
methyl 3-[[2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate
CID 51716885
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 51718191
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
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
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide (CID 51718679) is 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is RHMAHZCRPNARSM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-14(26)23-15-7-9-16(10-8-15)32(29,30)25-12-11-22-21(28)18(25)13-20(27)24-17-5-3-4-6-19(17)31-2/h3-10,18H,11-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 460.51 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 51718679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).