4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide

C23H23NOS — CID 1288714

IUPAC4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C23H23NOS/c1-18-7-5-6-10-22(18)15-24-23(25)21-13-11-20(12-14-21)17-26-16-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,24,25)
InChIKeyPHYYJJVKQGDKRQ-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.36
Rot. Bonds7

About 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide

4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 1288714) has the molecular formula C23H23NOS and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide
PubChem CID1288714
Molecular FormulaC23H23NOS
Molecular Weight361.51 g/mol
Exact Mass361.15
IUPAC Name4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C23H23NOS/c1-18-7-5-6-10-22(18)15-24-23(25)21-13-11-20(12-14-21)17-26-16-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,24,25)
InChIKeyPHYYJJVKQGDKRQ-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide (CID 1288714) is 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1ccc(CSCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is PHYYJJVKQGDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NOS/c1-18-7-5-6-10-22(18)15-24-23(25)21-13-11-20(12-14-21)17-26-16-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,24,25).
What are the key properties of 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide?
4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 361.51 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfanylmethyl)-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 1288714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).