4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide

C25H26N2O3S — CID 86883709

IUPAC4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(CSC)cc3)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-30-23-13-7-18(8-14-23)15-24(28)26-16-19-3-9-21(10-4-19)25(29)27-22-11-5-20(6-12-22)17-31-2/h3-14H,15-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyZUUFZTYDCDFCFS-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.67
Rot. Bonds9

About 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide

4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide (PubChem CID 86883709) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
PubChem CID86883709
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(CSC)cc3)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-30-23-13-7-18(8-14-23)15-24(28)26-16-19-3-9-21(10-4-19)25(29)27-22-11-5-20(6-12-22)17-31-2/h3-14H,15-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyZUUFZTYDCDFCFS-UHFFFAOYSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide (CID 86883709) is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide is COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(CSC)cc3)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide?
The InChIKey is ZUUFZTYDCDFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-30-23-13-7-18(8-14-23)15-24(28)26-16-19-3-9-21(10-4-19)25(29)27-22-11-5-20(6-12-22)17-31-2/h3-14H,15-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide?
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide has a molecular weight of 434.56 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 86883709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).