N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide

C27H26N2O6S — CID 11755916

IUPACN-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESC#CCN(C)C(=O)c1ccc2cc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)ccc2c1
InChIInChI=1S/C27H26N2O6S/c1-3-14-29(2)25(30)23-7-6-21-17-20(4-5-22(21)18-23)19-8-10-24(11-9-19)36(33,34)27(26(31)28-32)12-15-35-16-13-27/h1,4-11,17-18,32H,12-16H2,2H3,(H,28,31)
InChIKeyPIFMRPJSMSEQAF-UHFFFAOYSA-N
MW506.58 g/mol
LogP3.04
Rot. Bonds6

About N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 11755916) has the molecular formula C27H26N2O6S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID11755916
Molecular FormulaC27H26N2O6S
Molecular Weight506.58 g/mol
Exact Mass506.15
IUPAC NameN-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESC#CCN(C)C(=O)c1ccc2cc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)ccc2c1
InChIInChI=1S/C27H26N2O6S/c1-3-14-29(2)25(30)23-7-6-21-17-20(4-5-22(21)18-23)19-8-10-24(11-9-19)36(33,34)27(26(31)28-32)12-15-35-16-13-27/h1,4-11,17-18,32H,12-16H2,2H3,(H,28,31)
InChIKeyPIFMRPJSMSEQAF-UHFFFAOYSA-N
XLogP3.04
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.04
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide (CID 11755916) is N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide is C#CCN(C)C(=O)c1ccc2cc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)ccc2c1.
What is the InChIKey of N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is PIFMRPJSMSEQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6S/c1-3-14-29(2)25(30)23-7-6-21-17-20(4-5-22(21)18-23)19-8-10-24(11-9-19)36(33,34)27(26(31)28-32)12-15-35-16-13-27/h1,4-11,17-18,32H,12-16H2,2H3,(H,28,31).
What are the key properties of N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 11755916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).