N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide

C26H28N2O5S — CID 20607003

IUPACN-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
SMILESCCC(C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)c(O)c1)S(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C26H28N2O5S/c1-5-24(34(32,33)21-13-17(3)12-18(4)14-21)26(31)27-20-10-11-22(23(29)15-20)28-25(30)19-8-6-16(2)7-9-19/h6-15,24,29H,5H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyCPVZMHCFFBRHPZ-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.76
Rot. Bonds7

About N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide

N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide (PubChem CID 20607003) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
PubChem CID20607003
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
SMILESCCC(C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)c(O)c1)S(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C26H28N2O5S/c1-5-24(34(32,33)21-13-17(3)12-18(4)14-21)26(31)27-20-10-11-22(23(29)15-20)28-25(30)19-8-6-16(2)7-9-19/h6-15,24,29H,5H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyCPVZMHCFFBRHPZ-UHFFFAOYSA-N
XLogP4.76
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-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-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)
CID 91365378
3-chloro-N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-(methylideneamino)benzamide
CID 22952651
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide
CID 22964937
N-(4-formamido-3-hydroxyphenyl)-2-(3-methylphenyl)sulfonylbutanamide;4-methylbenzonitrile
CID 90802618
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
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide
CID 22886532
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide
CID 17359026
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-hydroxybenzamide
CID 59950442
N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-2-chloro-4-methylbenzamide
CID 59950451
N-[2-chloro-5-hydroxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(4-methylphenyl)sulfonylbutanamide
CID 20618135

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide (CID 20607003) is N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide is CCC(C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)c(O)c1)S(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide?
The InChIKey is CPVZMHCFFBRHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-5-24(34(32,33)21-13-17(3)12-18(4)14-21)26(31)27-20-10-11-22(23(29)15-20)28-25(30)19-8-6-16(2)7-9-19/h6-15,24,29H,5H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide?
N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide has a molecular weight of 480.59 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 20607003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).