N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide

C16H14N2O2S — CID 670182

IUPACN-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H14N2O2S/c1-20-15-9-12(21-2)7-8-13(15)16(19)18-14-6-4-3-5-11(14)10-17/h3-9H,1-2H3,(H,18,19)
InChIKeyCMDVTYHWTUVMPM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.54
Rot. Bonds4

About N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide

N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 670182) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID670182
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H14N2O2S/c1-20-15-9-12(21-2)7-8-13(15)16(19)18-14-6-4-3-5-11(14)10-17/h3-9H,1-2H3,(H,18,19)
InChIKeyCMDVTYHWTUVMPM-UHFFFAOYSA-N
XLogP3.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-Dihydro-indol-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)-methanone
CID 602616
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646
Benzamide, 2-methoxy-N-(2,3-dihydro-1-methylsulfonyl-5-indolyl)-4-methylthio-
CID 602438
N-(4-methoxyphenyl)-2-(methylthio)benzamide
CID 961858
2-Methoxy-N-(2-((3-((trifluoromethyl)thio)phenyl)carbamoyl)phenyl)benzamide
CID 56593315
2-methoxy-N-phenylbenzamide
CID 790564
(2-Methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 669785
2-methoxy-4-(methylsulfanyl)-N-phenylbenzamide
CID 669865
N-(2,4-dimethylphenyl)-2-methoxy-4-(methylthio)benzamide
CID 885007
2-methoxy-N-[3-(methylsulfanyl)phenyl]benzamide
CID 900514
N-(3-(2-methoxybenzamido)phenyl)thiophene-2-carboxamide
CID 1072992

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide (CID 670182) is N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is CMDVTYHWTUVMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-15-9-12(21-2)7-8-13(15)16(19)18-14-6-4-3-5-11(14)10-17/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide?
N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 298.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 670182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).