3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide

C20H17NO2S — CID 43980865

IUPAC3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
SMILESCSc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H17NO2S/c1-24-17-11-7-8-15(14-17)20(22)21-18-12-5-6-13-19(18)23-16-9-3-2-4-10-16/h2-14H,1H3,(H,21,22)
InChIKeyMLVUIPSWCWRGBE-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.45
Rot. Bonds5

About 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide

3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide (PubChem CID 43980865) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
PubChem CID43980865
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
SMILESCSc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H17NO2S/c1-24-17-11-7-8-15(14-17)20(22)21-18-12-5-6-13-19(18)23-16-9-3-2-4-10-16/h2-14H,1H3,(H,21,22)
InChIKeyMLVUIPSWCWRGBE-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
CID 60564666
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
CID 43980864
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
3-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyphenyl)benzamide
CID 121042034
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide (CID 43980865) is 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide is CSc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide?
The InChIKey is MLVUIPSWCWRGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-24-17-11-7-8-15(14-17)20(22)21-18-12-5-6-13-19(18)23-16-9-3-2-4-10-16/h2-14H,1H3,(H,21,22).
What are the key properties of 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide?
3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 43980865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).