N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide

C30H30N2O6S — CID 22950650

IUPACN-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H30N2O6S/c1-19-5-9-22(10-6-19)30(34)32-26-18-29(38-24-13-11-23(37-4)12-14-24)27(17-28(26)33)31-21(3)39(35,36)25-15-7-20(2)8-16-25/h5-18,21,31,33H,1-4H3,(H,32,34)
InChIKeyNKAGOVNPDJECDW-UHFFFAOYSA-N
MW546.65 g/mol
LogP6.29
Rot. Bonds9

About N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide

N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide (PubChem CID 22950650) has the molecular formula C30H30N2O6S and a molecular weight of 546.65 g/mol. Its IUPAC name is N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide
PubChem CID22950650
Molecular FormulaC30H30N2O6S
Molecular Weight546.65 g/mol
Exact Mass546.18
IUPAC NameN-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H30N2O6S/c1-19-5-9-22(10-6-19)30(34)32-26-18-29(38-24-13-11-23(37-4)12-14-24)27(17-28(26)33)31-21(3)39(35,36)25-15-7-20(2)8-16-25/h5-18,21,31,33H,1-4H3,(H,32,34)
InChIKeyNKAGOVNPDJECDW-UHFFFAOYSA-N
XLogP6.29
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide 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-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide
CID 22886532
formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide
CID 90717897
N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[(3-methylphenyl)sulfonylmethylamino]phenyl]-4-methylbenzamide
CID 22950649
2,3,4,5,6-pentafluoro-N-[5-hydroxy-4-[[(2Z)-2-hydroxyimino-2-(4-methylphenyl)acetyl]amino]-2-(4-methoxyphenoxy)phenyl]benzamide
CID 20618157
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-methoxy-N-[2,2,2-trichloro-1-(4-methylphenyl)sulfonylethyl]benzamide
CID 18560772
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
(4-methoxyphenyl)-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]phenol
CID 157225733
N-[2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]-5-(4-nitrophenoxy)phenyl]-1-phenylpyrazole-4-carboxamide
CID 18740330

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide (CID 22950650) is N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide is COc1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide?
The InChIKey is NKAGOVNPDJECDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O6S/c1-19-5-9-22(10-6-19)30(34)32-26-18-29(38-24-13-11-23(37-4)12-14-24)27(17-28(26)33)31-21(3)39(35,36)25-15-7-20(2)8-16-25/h5-18,21,31,33H,1-4H3,(H,32,34).
What are the key properties of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide?
N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide has a molecular weight of 546.65 g/mol, XLogP of 6.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide is sourced from PubChem (CID 22950650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).