1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide

C19H30N4O6S — CID 10836923

IUPAC1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide
SMILESCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1
InChIInChI=1S/C19H30N4O6S/c1-3-4-5-6-11-20-19(25)22-12-13-23(17(14-22)18(24)21-26)30(27,28)16-9-7-15(29-2)8-10-16/h7-10,17,26H,3-6,11-14H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyZFYWVXBCKVCYOL-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.17
Rot. Bonds9

About 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide

1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide (PubChem CID 10836923) has the molecular formula C19H30N4O6S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide
PubChem CID10836923
Molecular FormulaC19H30N4O6S
Molecular Weight442.54 g/mol
Exact Mass442.19
IUPAC Name1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide
SMILESCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1
InChIInChI=1S/C19H30N4O6S/c1-3-4-5-6-11-20-19(25)22-12-13-23(17(14-22)18(24)21-26)30(27,28)16-9-7-15(29-2)8-10-16/h7-10,17,26H,3-6,11-14H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyZFYWVXBCKVCYOL-UHFFFAOYSA-N
XLogP1.17
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
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4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
N-hydroxy-1-(4-methoxyphenylsulfonyl)piperidine-2-carboxamide
CID 10829071
N-Hydroxy 1N(4-methoxyphenyl)sulfonyl-4-(Z,E-N-methoxyimino)pyrrolidine-2R-carboxamide
CID 445010
2-[butan-2-yl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10686890
2-[cyclohexyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10807240
N-hydroxy-2-[(4-methoxybenzene)[2-(piperidin-1-yl)ethyl]sulfonamido]acetamide
CID 10833044
(4R)-1-tert-butyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxamide
CID 10362663
(2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypyrrolidine-2-carboxamide
CID 10504472
4-Piperidin-1-yl-1-(4-propoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10549577
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
CID 10549612

Frequently Asked Questions

What is the IUPAC name of 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide?
The IUPAC name of 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide (CID 10836923) is 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide?
The canonical SMILES for 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide is CCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1.
What is the InChIKey of 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide?
The InChIKey is ZFYWVXBCKVCYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O6S/c1-3-4-5-6-11-20-19(25)22-12-13-23(17(14-22)18(24)21-26)30(27,28)16-9-7-15(29-2)8-10-16/h7-10,17,26H,3-6,11-14H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide?
1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide has a molecular weight of 442.54 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 10836923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).