N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide

C23H24N2O5S — CID 145232968

IUPACN,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide
SMILESCC(C)CN(c1ccc(C(=O)NO)c(O)c1)S(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-16(2)15-25(17-8-13-21(22(26)14-17)23(27)24-28)31(29)20-11-9-19(10-12-20)30-18-6-4-3-5-7-18/h3-14,16,26,28H,15H2,1-2H3,(H,24,27)
InChIKeyDOUPNJGGVSBLTK-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.49
Rot. Bonds8

About N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide

N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide (PubChem CID 145232968) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide.

Molecular Properties

Compound NameN,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide
PubChem CID145232968
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide
SMILESCC(C)CN(c1ccc(C(=O)NO)c(O)c1)S(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-16(2)15-25(17-8-13-21(22(26)14-17)23(27)24-28)31(29)20-11-9-19(10-12-20)30-18-6-4-3-5-7-18/h3-14,16,26,28H,15H2,1-2H3,(H,24,27)
InChIKeyDOUPNJGGVSBLTK-UHFFFAOYSA-N
XLogP4.49
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide 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

ethane;methyl 5-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]sulfinyl-(2-methylpropyl)amino]-2-phenylmethoxybenzoate
CID 145232997
1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
CID 167363578
1-(2-hydroxy-4-phenoxyphenyl)butane-1,3-dione
CID 139885763
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
4-[[4-(3,5-dimethylphenoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid
CID 126480761
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
N,2-dihydroxybenzamide;ethane
CID 91440405
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
[3-hydroxy-4-(hydroxycarbamoyl)phenyl] cyanate
CID 134488532
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide?
The IUPAC name of N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide (CID 145232968) is N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide.
What is the SMILES notation for N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide?
The canonical SMILES for N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide is CC(C)CN(c1ccc(C(=O)NO)c(O)c1)S(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide?
The InChIKey is DOUPNJGGVSBLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16(2)15-25(17-8-13-21(22(26)14-17)23(27)24-28)31(29)20-11-9-19(10-12-20)30-18-6-4-3-5-7-18/h3-14,16,26,28H,15H2,1-2H3,(H,24,27).
What are the key properties of N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide?
N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide has a molecular weight of 440.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-4-[2-methylpropyl-(4-phenoxyphenyl)sulfinylamino]benzamide is sourced from PubChem (CID 145232968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).