N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide

C25H28N2O4S — CID 53287447

IUPACN-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
SMILESCCOc1ccccc1N(Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(C)(=O)=O
InChIInChI=1S/C25H28N2O4S/c1-5-31-24-9-7-6-8-23(24)27(32(4,29)30)17-20-12-14-21(15-13-20)25(28)26-22-16-18(2)10-11-19(22)3/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyXFEHJDPCNXBAKL-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.92
Rot. Bonds8

About N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide

N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 53287447) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
PubChem CID53287447
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
SMILESCCOc1ccccc1N(Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(C)(=O)=O
InChIInChI=1S/C25H28N2O4S/c1-5-31-24-9-7-6-8-23(24)27(32(4,29)30)17-20-12-14-21(15-13-20)25(28)26-22-16-18(2)10-11-19(22)3/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyXFEHJDPCNXBAKL-UHFFFAOYSA-N
XLogP4.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
CID 53287919
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287290
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
CID 53287155
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287986
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide
CID 53287187
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571657
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-ethoxyphenyl)benzamide
CID 53287885
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133210617
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide (CID 53287447) is N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide is CCOc1ccccc1N(Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is XFEHJDPCNXBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-31-24-9-7-6-8-23(24)27(32(4,29)30)17-20-12-14-21(15-13-20)25(28)26-22-16-18(2)10-11-19(22)3/h6-16H,5,17H2,1-4H3,(H,26,28).
What are the key properties of N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide?
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 53287447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).