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

C24H24Cl2N2O4S — CID 56968625

IUPAC3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H24Cl2N2O4S/c1-15-5-6-16(2)18(11-15)14-32-23-13-19(8-10-22(23)28(3)33(4,30)31)27-24(29)17-7-9-20(25)21(26)12-17/h5-13H,14H2,1-4H3,(H,27,29)
InChIKeyXHTXRYVLZNPDSU-UHFFFAOYSA-N
MW507.44 g/mol
LogP5.84
Rot. Bonds7

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

3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 56968625) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID56968625
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC Name3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H24Cl2N2O4S/c1-15-5-6-16(2)18(11-15)14-32-23-13-19(8-10-22(23)28(3)33(4,30)31)27-24(29)17-7-9-20(25)21(26)12-17/h5-13H,14H2,1-4H3,(H,27,29)
InChIKeyXHTXRYVLZNPDSU-UHFFFAOYSA-N
XLogP5.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 56968625) is 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is XHTXRYVLZNPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-15-5-6-16(2)18(11-15)14-32-23-13-19(8-10-22(23)28(3)33(4,30)31)27-24(29)17-7-9-20(25)21(26)12-17/h5-13H,14H2,1-4H3,(H,27,29).
What are the key properties of 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 507.44 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 56968625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).