N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide

C20H25N3O5S — CID 54555315

IUPACN-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
SMILESCc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C)CC2C(=O)NO)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-5-3-4-6-16(15)14-28-17-7-9-18(10-8-17)29(26,27)23-12-11-22(2)13-19(23)20(24)21-25/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)
InChIKeyZMTLSSRTIVGVDZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.38
Rot. Bonds6

About N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide

N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide (PubChem CID 54555315) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
PubChem CID54555315
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
SMILESCc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C)CC2C(=O)NO)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-5-3-4-6-16(15)14-28-17-7-9-18(10-8-17)29(26,27)23-12-11-22(2)13-19(23)20(24)21-25/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)
InChIKeyZMTLSSRTIVGVDZ-UHFFFAOYSA-N
XLogP1.38
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.38
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

[(2S,3R,6S)-2,6-dimethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylmorpholin-3-yl] N-hydroxycarbamate
CID 87961795
1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712324
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712345
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-methylpiperazin-1-yl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 101199613
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 57264071
N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 76501215
1-N-benzyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-methylpiperazine-1,3-dicarboxamide
CID 10389610
N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
CID 20712390
(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide
CID 59294698
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 22182512
(2R,3S)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxy-3-methylpiperidine-2-carboxamide
CID 10182521

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide?
The IUPAC name of N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide (CID 54555315) is N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide is Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C)CC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide?
The InChIKey is ZMTLSSRTIVGVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-15-5-3-4-6-16(15)14-28-17-7-9-18(10-8-17)29(26,27)23-12-11-22(2)13-19(23)20(24)21-25/h3-10,19,25H,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide?
N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 54555315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).