4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide

C23H21N3O4S — CID 24807434

IUPAC4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
SMILESCN(c1ccc(NC(=O)c2ccc(C#N)cc2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H21N3O4S/c1-26(31(2,28)29)21-13-12-20(14-22(21)30-16-18-6-4-3-5-7-18)25-23(27)19-10-8-17(15-24)9-11-19/h3-14H,16H2,1-2H3,(H,25,27)
InChIKeyGTIMWAVSJMTZJC-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.79
Rot. Bonds7

About 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide

4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide (PubChem CID 24807434) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
PubChem CID24807434
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
SMILESCN(c1ccc(NC(=O)c2ccc(C#N)cc2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H21N3O4S/c1-26(31(2,28)29)21-13-12-20(14-22(21)30-16-18-6-4-3-5-7-18)25-23(27)19-10-8-17(15-24)9-11-19/h3-14H,16H2,1-2H3,(H,25,27)
InChIKeyGTIMWAVSJMTZJC-UHFFFAOYSA-N
XLogP3.79
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide (CID 24807434) is 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide is CN(c1ccc(NC(=O)c2ccc(C#N)cc2)cc1OCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
The InChIKey is GTIMWAVSJMTZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-26(31(2,28)29)21-13-12-20(14-22(21)30-16-18-6-4-3-5-7-18)25-23(27)19-10-8-17(15-24)9-11-19/h3-14H,16H2,1-2H3,(H,25,27).
What are the key properties of 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide is sourced from PubChem (CID 24807434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).