3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide

C23H22N2O2S — CID 4304119

IUPAC3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-8-11-20(12-9-16)28-22-13-10-19(14-21(22)25-17(2)26)23(27)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDIVRLJAXWDHTMM-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.03
Rot. Bonds6

About 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide

3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide (PubChem CID 4304119) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide
PubChem CID4304119
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-8-11-20(12-9-16)28-22-13-10-19(14-21(22)25-17(2)26)23(27)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDIVRLJAXWDHTMM-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide (CID 4304119) is 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide is CC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1Sc1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide?
The InChIKey is DIVRLJAXWDHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-8-11-20(12-9-16)28-22-13-10-19(14-21(22)25-17(2)26)23(27)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide?
3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzyl-4-(4-methylphenyl)sulfanylbenzamide is sourced from PubChem (CID 4304119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).