3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide

C21H26N4O6S — CID 10718883

IUPAC3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C21H26N4O6S/c1-31-17-7-9-18(10-8-17)32(29,30)25-14-13-24(15-19(25)20(26)23-28)21(27)22-12-11-16-5-3-2-4-6-16/h2-10,19,28H,11-15H2,1H3,(H,22,27)(H,23,26)
InChIKeyDYVJPNSKJGHBKT-UHFFFAOYSA-N
MW462.53 g/mol
LogP0.83
Rot. Bonds7

About 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide

3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide (PubChem CID 10718883) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide
PubChem CID10718883
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C21H26N4O6S/c1-31-17-7-9-18(10-8-17)32(29,30)25-14-13-24(15-19(25)20(26)23-28)21(27)22-12-11-16-5-3-2-4-6-16/h2-10,19,28H,11-15H2,1H3,(H,22,27)(H,23,26)
InChIKeyDYVJPNSKJGHBKT-UHFFFAOYSA-N
XLogP0.83
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
CID 445018
Mmp inhibitor II
CID 4218
N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
CID 5289389
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
MMP-3 Inhibitor VIII
CID 10549329
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3,3-dimethylbutanamide
CID 10621353
N-hydroxy-2-[(4-methoxybenzene)(3-phenylpropyl)sulfonamido]acetamide
CID 10738429
N-hydroxy-2-[(4-methoxybenzene)(4-phenylbutyl)sulfonamido]acetamide
CID 10739270

Frequently Asked Questions

What is the IUPAC name of 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide?
The IUPAC name of 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide (CID 10718883) is 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide?
The canonical SMILES for 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3)CC2C(=O)NO)cc1.
What is the InChIKey of 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide?
The InChIKey is DYVJPNSKJGHBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-31-17-7-9-18(10-8-17)32(29,30)25-14-13-24(15-19(25)20(26)23-28)21(27)22-12-11-16-5-3-2-4-6-16/h2-10,19,28H,11-15H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide?
3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide has a molecular weight of 462.53 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-(2-phenylethyl)piperazine-1,3-dicarboxamide is sourced from PubChem (CID 10718883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).