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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
4-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonyl-N-methylanilino]butanoic acid
CID 10272307
N-hydroxy-4-[4-[methyl(4-oxopentyl)amino]phenyl]sulfonyloxane-4-carboxamide
CID 20780942
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
4-[4-[4-butoxy-3-(trifluoromethyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 58623255
N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide
CID 20620808
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 158147702
4-[4-[(Z)-4-cyano-4-(4-methoxyphenyl)but-3-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620695
4-[4-[3-[(4-cyanobenzoyl)amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620754

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).