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

C24H25ClN2O4S — CID 56969726

IUPAC4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)cc3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H25ClN2O4S/c1-16-5-6-17(2)19(13-16)15-31-23-14-21(11-12-22(23)27(3)32(4,29)30)26-24(28)18-7-9-20(25)10-8-18/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyZTSAVPBELVUPPM-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.18
Rot. Bonds7

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

4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 56969726) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID56969726
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)cc3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H25ClN2O4S/c1-16-5-6-17(2)19(13-16)15-31-23-14-21(11-12-22(23)27(3)32(4,29)30)26-24(28)18-7-9-20(25)10-8-18/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyZTSAVPBELVUPPM-UHFFFAOYSA-N
XLogP5.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 56969726) is 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)cc3)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is ZTSAVPBELVUPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-16-5-6-17(2)19(13-16)15-31-23-14-21(11-12-22(23)27(3)32(4,29)30)26-24(28)18-7-9-20(25)10-8-18/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 472.99 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 56969726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).