4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide

C25H25N3O4S — CID 56968838

IUPAC4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(C#N)cc3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C25H25N3O4S/c1-17-5-6-18(2)21(13-17)16-32-24-14-22(11-12-23(24)28(3)33(4,30)31)27-25(29)20-9-7-19(15-26)8-10-20/h5-14H,16H2,1-4H3,(H,27,29)
InChIKeyNOESVJYLLUUHQJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.40
Rot. Bonds7

About 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide

4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 56968838) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID56968838
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(C#N)cc3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C25H25N3O4S/c1-17-5-6-18(2)21(13-17)16-32-24-14-22(11-12-23(24)28(3)33(4,30)31)27-25(29)20-9-7-19(15-26)8-10-20/h5-14H,16H2,1-4H3,(H,27,29)
InChIKeyNOESVJYLLUUHQJ-UHFFFAOYSA-N
XLogP4.40
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]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

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide
CID 24873741
N-(3-((2,5-dimethylbenzyl)oxy)-4-(N-methylmethylsulfonamido)phenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 56967399
Antitrypanosomal agent 5
CID 164887470
N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide
CID 24807243
4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
CID 24807434
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide
CID 56961781
N-[3-(2,5-Dimethoxybenzyloxy)-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 56961782
4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 56968624
3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56968625
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
CID 56968836
4-bromo-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56968840
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 56969062

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 56968838) is 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(C#N)cc3)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is NOESVJYLLUUHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-17-5-6-18(2)21(13-17)16-32-24-14-22(11-12-23(24)28(3)33(4,30)31)27-25(29)20-9-7-19(15-26)8-10-20/h5-14H,16H2,1-4H3,(H,27,29).
What are the key properties of 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 56968838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).