N-benzyl-N-(4-methylsulfanylphenyl)formamide

C15H15NOS — CID 20740855

IUPACN-benzyl-N-(4-methylsulfanylphenyl)formamide
SMILESCSc1ccc(N(C=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c1-18-15-9-7-14(8-10-15)16(12-17)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyJJVRNQFMKRPHSN-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.57
Rot. Bonds5

About N-benzyl-N-(4-methylsulfanylphenyl)formamide

N-benzyl-N-(4-methylsulfanylphenyl)formamide (PubChem CID 20740855) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-benzyl-N-(4-methylsulfanylphenyl)formamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methylsulfanylphenyl)formamide
PubChem CID20740855
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-benzyl-N-(4-methylsulfanylphenyl)formamide
SMILESCSc1ccc(N(C=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c1-18-15-9-7-14(8-10-15)16(12-17)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyJJVRNQFMKRPHSN-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methylsulfanylphenyl)formamide?
The IUPAC name of N-benzyl-N-(4-methylsulfanylphenyl)formamide (CID 20740855) is N-benzyl-N-(4-methylsulfanylphenyl)formamide.
What is the SMILES notation for N-benzyl-N-(4-methylsulfanylphenyl)formamide?
The canonical SMILES for N-benzyl-N-(4-methylsulfanylphenyl)formamide is CSc1ccc(N(C=O)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(4-methylsulfanylphenyl)formamide?
The InChIKey is JJVRNQFMKRPHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-18-15-9-7-14(8-10-15)16(12-17)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of N-benzyl-N-(4-methylsulfanylphenyl)formamide?
N-benzyl-N-(4-methylsulfanylphenyl)formamide has a molecular weight of 257.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methylsulfanylphenyl)formamide is sourced from PubChem (CID 20740855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).