N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide

C15H16N2OS — CID 107021824

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
SMILESCN(CCc1ccccn1)C(=O)c1cccc(S)c1
InChIInChI=1S/C15H16N2OS/c1-17(10-8-13-6-2-3-9-16-13)15(18)12-5-4-7-14(19)11-12/h2-7,9,11,19H,8,10H2,1H3
InChIKeyOMHWUGQDKLBBAM-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.68
Rot. Bonds4

About N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide

N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide (PubChem CID 107021824) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
PubChem CID107021824
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
SMILESCN(CCc1ccccn1)C(=O)c1cccc(S)c1
InChIInChI=1S/C15H16N2OS/c1-17(10-8-13-6-2-3-9-16-13)15(18)12-5-4-7-14(19)11-12/h2-7,9,11,19H,8,10H2,1H3
InChIKeyOMHWUGQDKLBBAM-UHFFFAOYSA-N
XLogP2.68
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide (CID 107021824) is N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide is CN(CCc1ccccn1)C(=O)c1cccc(S)c1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide?
The InChIKey is OMHWUGQDKLBBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(10-8-13-6-2-3-9-16-13)15(18)12-5-4-7-14(19)11-12/h2-7,9,11,19H,8,10H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide?
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide has a molecular weight of 272.37 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-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107021824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).