3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide

C24H24N2O2S — CID 4306612

IUPAC3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C24H24N2O2S/c1-16-4-8-19(9-5-16)15-25-24(28)20-10-13-23(22(14-20)26-18(3)27)29-21-11-6-17(2)7-12-21/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYMZZXSCROZJWPO-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.34
Rot. Bonds6

About 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide

3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide (PubChem CID 4306612) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
PubChem CID4306612
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C24H24N2O2S/c1-16-4-8-19(9-5-16)15-25-24(28)20-10-13-23(22(14-20)26-18(3)27)29-21-11-6-17(2)7-12-21/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYMZZXSCROZJWPO-UHFFFAOYSA-N
XLogP5.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide (CID 4306612) is 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide is CC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1Sc1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
The InChIKey is YMZZXSCROZJWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-16-4-8-19(9-5-16)15-25-24(28)20-10-13-23(22(14-20)26-18(3)27)29-21-11-6-17(2)7-12-21/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide has a molecular weight of 404.54 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide is sourced from PubChem (CID 4306612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).