N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide

C20H24N2O4S2 — CID 142028138

IUPACN-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide
SMILESCOc1ccc(SN2CCC(Sc3ccccc3)CC2)c(C(=O)NO)c1OC
InChIInChI=1S/C20H24N2O4S2/c1-25-16-8-9-17(18(19(16)26-2)20(23)21-24)28-22-12-10-15(11-13-22)27-14-6-4-3-5-7-14/h3-9,15,24H,10-13H2,1-2H3,(H,21,23)
InChIKeyBGOJMKHWLWUUPX-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.09
Rot. Bonds7

About N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide

N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide (PubChem CID 142028138) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide
PubChem CID142028138
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide
SMILESCOc1ccc(SN2CCC(Sc3ccccc3)CC2)c(C(=O)NO)c1OC
InChIInChI=1S/C20H24N2O4S2/c1-25-16-8-9-17(18(19(16)26-2)20(23)21-24)28-22-12-10-15(11-13-22)27-14-6-4-3-5-7-14/h3-9,15,24H,10-13H2,1-2H3,(H,21,23)
InChIKeyBGOJMKHWLWUUPX-UHFFFAOYSA-N
XLogP4.09
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.09
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028119
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
CID 142096195
2-(hydroxycarbamoyl)-3-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfanylbenzoic acid
CID 142028113
6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide
CID 142096155
N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide
CID 37400540
N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide
CID 20626166
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
1-(3-bromo-4-methoxyphenyl)sulfanyl-4-phenylpiperidine
CID 170743702
6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
CID 8973020
N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine
CID 142206649
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide?
The IUPAC name of N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide (CID 142028138) is N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide.
What is the SMILES notation for N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide?
The canonical SMILES for N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide is COc1ccc(SN2CCC(Sc3ccccc3)CC2)c(C(=O)NO)c1OC.
What is the InChIKey of N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide?
The InChIKey is BGOJMKHWLWUUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-25-16-8-9-17(18(19(16)26-2)20(23)21-24)28-22-12-10-15(11-13-22)27-14-6-4-3-5-7-14/h3-9,15,24H,10-13H2,1-2H3,(H,21,23).
What are the key properties of N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide?
N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide has a molecular weight of 420.56 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide is sourced from PubChem (CID 142028138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).