4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide

C26H30N2O5S — CID 53287191

IUPAC4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(CN(c2ccccc2OCC)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O5S/c1-4-32-24-12-8-6-10-22(24)18-27-26(29)21-16-14-20(15-17-21)19-28(34(3,30)31)23-11-7-9-13-25(23)33-5-2/h6-17H,4-5,18-19H2,1-3H3,(H,27,29)
InChIKeyBFQNABXINGCCTO-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.38
Rot. Bonds11

About 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide

4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide (PubChem CID 53287191) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
PubChem CID53287191
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(CN(c2ccccc2OCC)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O5S/c1-4-32-24-12-8-6-10-22(24)18-27-26(29)21-16-14-20(15-17-21)19-28(34(3,30)31)23-11-7-9-13-25(23)33-5-2/h6-17H,4-5,18-19H2,1-3H3,(H,27,29)
InChIKeyBFQNABXINGCCTO-UHFFFAOYSA-N
XLogP4.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287986
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
CID 53287155
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-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287447
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
N-(2-bicyclo[2.2.1]heptanyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287255
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287290
N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28564417
N-(2-ethoxyphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287514

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide (CID 53287191) is 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide is CCOc1ccccc1CNC(=O)c1ccc(CN(c2ccccc2OCC)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The InChIKey is BFQNABXINGCCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-4-32-24-12-8-6-10-22(24)18-27-26(29)21-16-14-20(15-17-21)19-28(34(3,30)31)23-11-7-9-13-25(23)33-5-2/h6-17H,4-5,18-19H2,1-3H3,(H,27,29).
What are the key properties of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide?
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide has a molecular weight of 482.60 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53287191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).