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

C19H27N3O6S — CID 10550304

IUPAC4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyBSHJFYSJFLAHQN-UHFFFAOYSA-N
MW425.51 g/mol
LogP0.98
Rot. Bonds5

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

4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 10550304) has the molecular formula C19H27N3O6S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID10550304
Molecular FormulaC19H27N3O6S
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Name4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyBSHJFYSJFLAHQN-UHFFFAOYSA-N
XLogP0.98
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 50.98
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

methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 163144259
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 10716486
1-N-benzyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-methylpiperazine-1,3-dicarboxamide
CID 10389610
4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
CID 10177120
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 10550304) is 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2C(=O)NO)cc1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is BSHJFYSJFLAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23).
What are the key properties of 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 10550304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).