N-benzyl-2-methylsulfanylbenzamide

C15H15NOS — CID 966900

IUPACN-benzyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H15NOS/c1-18-14-10-6-5-9-13(14)15(17)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,17)
InChIKeyMQEROOKYQPHGHZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.34
Rot. Bonds4

About N-benzyl-2-methylsulfanylbenzamide

N-benzyl-2-methylsulfanylbenzamide (PubChem CID 966900) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-benzyl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methylsulfanylbenzamide
PubChem CID966900
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-benzyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H15NOS/c1-18-14-10-6-5-9-13(14)15(17)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,17)
InChIKeyMQEROOKYQPHGHZ-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylbenzamide
CID 17474341
N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 53285873
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
N-butyl-2-methylsulfanylbenzamide
CID 59510338
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylsulfanylbenzamide?
The IUPAC name of N-benzyl-2-methylsulfanylbenzamide (CID 966900) is N-benzyl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-benzyl-2-methylsulfanylbenzamide?
The canonical SMILES for N-benzyl-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylsulfanylbenzamide?
The InChIKey is MQEROOKYQPHGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-18-14-10-6-5-9-13(14)15(17)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-benzyl-2-methylsulfanylbenzamide?
N-benzyl-2-methylsulfanylbenzamide has a molecular weight of 257.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylsulfanylbenzamide is sourced from PubChem (CID 966900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).