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

C24H24Cl2N2O4S — CID 56969065

IUPAC2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H24Cl2N2O4S/c1-15-5-6-16(2)17(11-15)14-32-23-13-19(8-10-22(23)28(3)33(4,30)31)27-24(29)20-9-7-18(25)12-21(20)26/h5-13H,14H2,1-4H3,(H,27,29)
InChIKeyWFFWFWVHSAKILC-UHFFFAOYSA-N
MW507.44 g/mol
LogP5.84
Rot. Bonds7

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

2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 56969065) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID56969065
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC Name2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H24Cl2N2O4S/c1-15-5-6-16(2)17(11-15)14-32-23-13-19(8-10-22(23)28(3)33(4,30)31)27-24(29)20-9-7-18(25)12-21(20)26/h5-13H,14H2,1-4H3,(H,27,29)
InChIKeyWFFWFWVHSAKILC-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 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 56969065) is 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is WFFWFWVHSAKILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-15-5-6-16(2)17(11-15)14-32-23-13-19(8-10-22(23)28(3)33(4,30)31)27-24(29)20-9-7-18(25)12-21(20)26/h5-13H,14H2,1-4H3,(H,27,29).
What are the key properties of 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
2,4-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 2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 56969065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).