2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide

C22H22N2OS — CID 52906742

IUPAC2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C22H22N2OS/c1-26-21-13-6-5-12-20(21)22(25)24(17-19-11-7-8-15-23-19)16-14-18-9-3-2-4-10-18/h2-13,15H,14,16-17H2,1H3
InChIKeyVHCZLWRSLQXDSJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.69
Rot. Bonds7

About 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide

2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 52906742) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID52906742
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C22H22N2OS/c1-26-21-13-6-5-12-20(21)22(25)24(17-19-11-7-8-15-23-19)16-14-18-9-3-2-4-10-18/h2-13,15H,14,16-17H2,1H3
InChIKeyVHCZLWRSLQXDSJ-UHFFFAOYSA-N
XLogP4.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9837640
CID 9837640
CID 65975
CID 65975
CID 42617997
CID 42617997
CID 42606339
CID 42606339
CID 57402288
CID 57402288
CID 1243089
CID 1243089
CID 16190453
CID 16190453
CID 24819750
CID 24819750
CID 1148103
CID 1148103
CID 403327
CID 403327
CID 695027
CID 695027
CID 9902603
CID 9902603

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 52906742) is 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide is CSc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VHCZLWRSLQXDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-26-21-13-6-5-12-20(21)22(25)24(17-19-11-7-8-15-23-19)16-14-18-9-3-2-4-10-18/h2-13,15H,14,16-17H2,1H3.
What are the key properties of 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 362.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 52906742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).