N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide

C17H19N3O6S2 — CID 10622296

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2C(=O)NO)cc1
InChIInChI=1S/C17H19N3O6S2/c1-26-12-4-6-13(7-5-12)28(24,25)20-9-8-19(11-14(20)16(21)18-23)17(22)15-3-2-10-27-15/h2-7,10,14,23H,8-9,11H2,1H3,(H,18,21)
InChIKeyCRPDTHYTIJXWLZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP0.78
Rot. Bonds5

About N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide

N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide (PubChem CID 10622296) has the molecular formula C17H19N3O6S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
PubChem CID10622296
Molecular FormulaC17H19N3O6S2
Molecular Weight425.49 g/mol
Exact Mass425.07
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2C(=O)NO)cc1
InChIInChI=1S/C17H19N3O6S2/c1-26-12-4-6-13(7-5-12)28(24,25)20-9-8-19(11-14(20)16(21)18-23)17(22)15-3-2-10-27-15/h2-7,10,14,23H,8-9,11H2,1H3,(H,18,21)
InChIKeyCRPDTHYTIJXWLZ-UHFFFAOYSA-N
XLogP0.78
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide (CID 10622296) is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is CRPDTHYTIJXWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S2/c1-26-12-4-6-13(7-5-12)28(24,25)20-9-8-19(11-14(20)16(21)18-23)17(22)15-3-2-10-27-15/h2-7,10,14,23H,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 10622296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).