N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide

C23H21F2NO5S — CID 55369373

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc2OC(F)F)cc1
InChIInChI=1S/C23H21F2NO5S/c1-14-4-10-18(32(3,28)29)13-19(14)22(27)26-16-7-11-21(31-23(24)25)20(12-16)15-5-8-17(30-2)9-6-15/h4-13,23H,1-3H3,(H,26,27)
InChIKeyZEWCAHYNCIJNRM-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.93
Rot. Bonds7

About N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 55369373) has the molecular formula C23H21F2NO5S and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID55369373
Molecular FormulaC23H21F2NO5S
Molecular Weight461.49 g/mol
Exact Mass461.11
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc2OC(F)F)cc1
InChIInChI=1S/C23H21F2NO5S/c1-14-4-10-18(32(3,28)29)13-19(14)22(27)26-16-7-11-21(31-23(24)25)20(12-16)15-5-8-17(30-2)9-6-15/h4-13,23H,1-3H3,(H,26,27)
InChIKeyZEWCAHYNCIJNRM-UHFFFAOYSA-N
XLogP4.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide 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-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
CID 46674438
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 37040678
4-amino-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-nitrobenzamide
CID 37040670
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-(methylamino)-3-nitrobenzamide
CID 46674453
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
CID 24576064
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide (CID 55369373) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide is COc1ccc(-c2cc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is ZEWCAHYNCIJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO5S/c1-14-4-10-18(32(3,28)29)13-19(14)22(27)26-16-7-11-21(31-23(24)25)20(12-16)15-5-8-17(30-2)9-6-15/h4-13,23H,1-3H3,(H,26,27).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 461.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 55369373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).