4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

C19H28N4O6S — CID 10622970

IUPAC4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24)
InChIKeyCCVGKLVIMFBNBM-UHFFFAOYSA-N
MW440.52 g/mol
LogP0.87
Rot. Bonds4

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

4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 10622970) has the molecular formula C19H28N4O6S and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID10622970
Molecular FormulaC19H28N4O6S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Name4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24)
InChIKeyCCVGKLVIMFBNBM-UHFFFAOYSA-N
XLogP0.87
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 50.87
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

1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
CID 445018
Mmp inhibitor II
CID 4218
4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
N-hydroxy-1-(4-methoxyphenylsulfonyl)piperidine-2-carboxamide
CID 10829071
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
(5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide
CID 10006134
(4R)-1-tert-butyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxamide
CID 10362663
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
N-hydroxy-4-[(2S)-2-hydroxy-3-methylbutanoyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 10549764

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 10622970) is 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2C(=O)NO)cc1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is CCVGKLVIMFBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24).
What are the key properties of 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 10622970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).