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

C33H34N2O7S — CID 22886532

IUPACN-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide
SMILESCCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Oc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C33H34N2O7S/c1-5-6-31(43(39,40)26-17-9-22(3)10-18-26)33(38)35-28-19-29(36)27(34-32(37)23-11-7-21(2)8-12-23)20-30(28)42-25-15-13-24(41-4)14-16-25/h7-20,31,36H,5-6H2,1-4H3,(H,34,37)(H,35,38)
InChIKeyAHYBGBMPSBWXAS-UHFFFAOYSA-N
MW602.71 g/mol
LogP6.64
Rot. Bonds11

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

N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide (PubChem CID 22886532) has the molecular formula C33H34N2O7S and a molecular weight of 602.71 g/mol. Its IUPAC name is N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide
PubChem CID22886532
Molecular FormulaC33H34N2O7S
Molecular Weight602.71 g/mol
Exact Mass602.21
IUPAC NameN-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide
SMILESCCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Oc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C33H34N2O7S/c1-5-6-31(43(39,40)26-17-9-22(3)10-18-26)33(38)35-28-19-29(36)27(34-32(37)23-11-7-21(2)8-12-23)20-30(28)42-25-15-13-24(41-4)14-16-25/h7-20,31,36H,5-6H2,1-4H3,(H,34,37)(H,35,38)
InChIKeyAHYBGBMPSBWXAS-UHFFFAOYSA-N
XLogP6.64
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.71
LogP ≤ 56.64
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-[2-(4-methylphenyl)sulfonylpentanoylamino]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-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide
CID 22950650
N-[2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]-5-(4-nitrophenoxy)phenyl]-1-phenylpyrazole-4-carboxamide
CID 18740330
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide
CID 22964937
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
N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide
CID 91277326
ethyl 2-(4-methoxyphenyl)sulfonylpentanoate
CID 10979504
N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
CID 20607003
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
N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,4-dimethylphenyl)sulfonylpropanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
CID 90889339
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-[4-(2-methyloctoxy)phenyl]sulfonylbutanoylamino]phenyl]benzamide
CID 59940425

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide (CID 22886532) is N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide is CCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Oc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide?
The InChIKey is AHYBGBMPSBWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O7S/c1-5-6-31(43(39,40)26-17-9-22(3)10-18-26)33(38)35-28-19-29(36)27(34-32(37)23-11-7-21(2)8-12-23)20-30(28)42-25-15-13-24(41-4)14-16-25/h7-20,31,36H,5-6H2,1-4H3,(H,34,37)(H,35,38).
What are the key properties of N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide?
N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide has a molecular weight of 602.71 g/mol, XLogP of 6.64, 11 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-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide is sourced from PubChem (CID 22886532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).