4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

C14H19N3O6S — CID 10522311

IUPAC4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2C(=O)NO)cc1
InChIInChI=1S/C14H19N3O6S/c1-10(18)16-7-8-17(13(9-16)14(19)15-20)24(21,22)12-5-3-11(23-2)4-6-12/h3-6,13,20H,7-9H2,1-2H3,(H,15,19)
InChIKeyYGXMCNARAMUPPX-UHFFFAOYSA-N
MW357.39 g/mol
LogP-0.58
Rot. Bonds4

About 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 10522311) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID10522311
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Name4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2C(=O)NO)cc1
InChIInChI=1S/C14H19N3O6S/c1-10(18)16-7-8-17(13(9-16)14(19)15-20)24(21,22)12-5-3-11(23-2)4-6-12/h3-6,13,20H,7-9H2,1-2H3,(H,15,19)
InChIKeyYGXMCNARAMUPPX-UHFFFAOYSA-N
XLogP-0.58
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
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

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
Mmp inhibitor II
CID 4218
N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
CID 5289389
N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 46829322
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl]amino]-3-methylbutanamide
CID 6539651
Hydroxamate 21
CID 6916013
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]glycinamide
CID 10445302
N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide
CID 10569469
2-[(2,2,2-Trifluoroethyl)[(4-methoxyphenyl)sulfonyl]amino]acetohydroximic acid
CID 10593373
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
N-hydroxy-2-[(4-methoxybenzene)(3-methylbutyl)sulfonamido]acetamide
CID 10640178

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 10522311) is 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2C(=O)NO)cc1.
What is the InChIKey of 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is YGXMCNARAMUPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-10(18)16-7-8-17(13(9-16)14(19)15-20)24(21,22)12-5-3-11(23-2)4-6-12/h3-6,13,20H,7-9H2,1-2H3,(H,15,19).
What are the key properties of 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 10522311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).