N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide

C17H19NOS — CID 4882023

IUPACN-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NOS/c1-13-3-5-14(6-4-13)11-18-17(19)16-9-7-15(8-10-16)12-20-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHZDPBDPCPIKYBQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.79
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide

N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 4882023) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID4882023
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NOS/c1-13-3-5-14(6-4-13)11-18-17(19)16-9-7-15(8-10-16)12-20-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHZDPBDPCPIKYBQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide (CID 4882023) is N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is HZDPBDPCPIKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-3-5-14(6-4-13)11-18-17(19)16-9-7-15(8-10-16)12-20-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 285.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 4882023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).