N-(4-methoxyphenyl)-4-methylsulfinylbenzamide

C15H15NO3S — CID 51191498

IUPACN-(4-methoxyphenyl)-4-methylsulfinylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C15H15NO3S/c1-19-13-7-5-12(6-8-13)16-15(17)11-3-9-14(10-4-11)20(2)18/h3-10H,1-2H3,(H,16,17)
InChIKeyQSWCMABGZOTFJW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.68
Rot. Bonds4

About N-(4-methoxyphenyl)-4-methylsulfinylbenzamide

N-(4-methoxyphenyl)-4-methylsulfinylbenzamide (PubChem CID 51191498) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methylsulfinylbenzamide
PubChem CID51191498
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(4-methoxyphenyl)-4-methylsulfinylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C15H15NO3S/c1-19-13-7-5-12(6-8-13)16-15(17)11-3-9-14(10-4-11)20(2)18/h3-10H,1-2H3,(H,16,17)
InChIKeyQSWCMABGZOTFJW-UHFFFAOYSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
2-(4-Methoxyphenyl)-1,2-benzothiazol-3-one
CID 11054313
N-(2-methoxyphenyl)-2-(methylthio)benzamide
CID 313103
3-methoxy-N-phenylbenzamide
CID 835330
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
2-amino-N-(4-methoxyphenyl)benzamide
CID 478820
N-(4-methoxyphenyl)-2-methylbenzamide
CID 531865
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methylsulfinylbenzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methylsulfinylbenzamide (CID 51191498) is N-(4-methoxyphenyl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methylsulfinylbenzamide is COc1ccc(NC(=O)c2ccc(S(C)=O)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methylsulfinylbenzamide?
The InChIKey is QSWCMABGZOTFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-13-7-5-12(6-8-13)16-15(17)11-3-9-14(10-4-11)20(2)18/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-4-methylsulfinylbenzamide?
N-(4-methoxyphenyl)-4-methylsulfinylbenzamide has a molecular weight of 289.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 51191498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).