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

C25H25F3N2O5S — CID 67282509

IUPAC4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C(F)(F)F)ccc3C)c2)cc1
InChIInChI=1S/C25H25F3N2O5S/c1-16-5-8-19(25(26,27)28)13-18(16)15-35-23-14-20(9-12-22(23)30(2)36(4,32)33)29-24(31)17-6-10-21(34-3)11-7-17/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyXEWVMHPDJIASQB-UHFFFAOYSA-N
MW522.55 g/mol
LogP5.25
Rot. Bonds8

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

4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide (PubChem CID 67282509) has the molecular formula C25H25F3N2O5S and a molecular weight of 522.55 g/mol. Its IUPAC name is 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide
PubChem CID67282509
Molecular FormulaC25H25F3N2O5S
Molecular Weight522.55 g/mol
Exact Mass522.14
IUPAC Name4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C(F)(F)F)ccc3C)c2)cc1
InChIInChI=1S/C25H25F3N2O5S/c1-16-5-8-19(25(26,27)28)13-18(16)15-35-23-14-20(9-12-22(23)30(2)36(4,32)33)29-24(31)17-6-10-21(34-3)11-7-17/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyXEWVMHPDJIASQB-UHFFFAOYSA-N
XLogP5.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Dimethoxybenzyloxy)-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 56961782
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-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56968838
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
2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56969065

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide (CID 67282509) is 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C(F)(F)F)ccc3C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide?
The InChIKey is XEWVMHPDJIASQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O5S/c1-16-5-8-19(25(26,27)28)13-18(16)15-35-23-14-20(9-12-22(23)30(2)36(4,32)33)29-24(31)17-6-10-21(34-3)11-7-17/h5-14H,15H2,1-4H3,(H,29,31).
What are the key properties of 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide?
4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide has a molecular weight of 522.55 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[methyl(methylsulfonyl)amino]-3-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]benzamide is sourced from PubChem (CID 67282509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).