N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide

C16H17NOS — CID 967610

IUPACN-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H17NOS/c1-11-8-9-13(10-12(11)2)17-16(18)14-6-4-5-7-15(14)19-3/h4-10H,1-3H3,(H,17,18)
InChIKeyTVPBRXOVHXSBJY-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.28
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide

N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide (PubChem CID 967610) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide
PubChem CID967610
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H17NOS/c1-11-8-9-13(10-12(11)2)17-16(18)14-6-4-5-7-15(14)19-3/h4-10H,1-3H3,(H,17,18)
InChIKeyTVPBRXOVHXSBJY-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide (CID 967610) is N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is TVPBRXOVHXSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-8-9-13(10-12(11)2)17-16(18)14-6-4-5-7-15(14)19-3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide?
N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 271.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 967610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).