3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide

C22H18N2O2S — CID 60572425

IUPAC3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1
InChIInChI=1S/C22H18N2O2S/c1-27-21-11-9-19(10-12-21)24-22(25)16-7-4-8-20(13-16)26-15-18-6-3-2-5-17(18)14-23/h2-13H,15H2,1H3,(H,24,25)
InChIKeyRTPVQYMRFCGLBW-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.11
Rot. Bonds6

About 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide

3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 60572425) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
PubChem CID60572425
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1
InChIInChI=1S/C22H18N2O2S/c1-27-21-11-9-19(10-12-21)24-22(25)16-7-4-8-20(13-16)26-15-18-6-3-2-5-17(18)14-23/h2-13H,15H2,1H3,(H,24,25)
InChIKeyRTPVQYMRFCGLBW-UHFFFAOYSA-N
XLogP5.11
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
CID 52738677
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
3-[(2-cyanophenyl)methoxy]-N-prop-2-ynylbenzamide
CID 47070755
methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
CID 47059942
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604
3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972910
3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86832339
N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide
CID 60522164
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide (CID 60572425) is 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1.
What is the InChIKey of 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is RTPVQYMRFCGLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-27-21-11-9-19(10-12-21)24-22(25)16-7-4-8-20(13-16)26-15-18-6-3-2-5-17(18)14-23/h2-13H,15H2,1H3,(H,24,25).
What are the key properties of 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide?
3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 60572425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).