N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide

C20H31N3O6S — CID 21068925

IUPACN-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESCc1cc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)ccc1OC(C)C
InChIInChI=1S/C20H31N3O6S/c1-15(2)29-18-5-4-17(14-16(18)3)22-8-10-23(11-9-22)30(26,27)20(19(24)21-25)6-12-28-13-7-20/h4-5,14-15,25H,6-13H2,1-3H3,(H,21,24)
InChIKeyMIJGEIDOUKXINV-UHFFFAOYSA-N
MW441.55 g/mol
LogP1.29
Rot. Bonds6

About N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068925) has the molecular formula C20H31N3O6S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068925
Molecular FormulaC20H31N3O6S
Molecular Weight441.55 g/mol
Exact Mass441.19
IUPAC NameN-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESCc1cc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)ccc1OC(C)C
InChIInChI=1S/C20H31N3O6S/c1-15(2)29-18-5-4-17(14-16(18)3)22-8-10-23(11-9-22)30(26,27)20(19(24)21-25)6-12-28-13-7-20/h4-5,14-15,25H,6-13H2,1-3H3,(H,21,24)
InChIKeyMIJGEIDOUKXINV-UHFFFAOYSA-N
XLogP1.29
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068940
4-[4-(4-cyclobutyloxy-3-fluorophenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21068900
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
4-[4-(3-fluoro-4-phenylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21068741
N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068751
ethane;N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 143045285
4-[4-(3-fluoro-4-thiophen-2-ylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 162329905
4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169427121
N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162310829
N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 46891108
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide
CID 21068872

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide (CID 21068925) is N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide is Cc1cc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)ccc1OC(C)C.
What is the InChIKey of N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is MIJGEIDOUKXINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6S/c1-15(2)29-18-5-4-17(14-16(18)3)22-8-10-23(11-9-22)30(26,27)20(19(24)21-25)6-12-28-13-7-20/h4-5,14-15,25H,6-13H2,1-3H3,(H,21,24).
What are the key properties of N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).