2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide

C15H16N2OS — CID 107022791

IUPAC2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C15H16N2OS/c1-10-6-7-12(19)9-13(10)15(18)17-11(2)14-5-3-4-8-16-14/h3-9,11,19H,1-2H3,(H,17,18)
InChIKeyCALSYSZEGRKDPN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide

2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide (PubChem CID 107022791) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide
PubChem CID107022791
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C15H16N2OS/c1-10-6-7-12(19)9-13(10)15(18)17-11(2)14-5-3-4-8-16-14/h3-9,11,19H,1-2H3,(H,17,18)
InChIKeyCALSYSZEGRKDPN-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107025469
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41083114
3-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 43007029
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide (CID 107022791) is 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NC(C)c1ccccn1.
What is the InChIKey of 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide?
The InChIKey is CALSYSZEGRKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-6-7-12(19)9-13(10)15(18)17-11(2)14-5-3-4-8-16-14/h3-9,11,19H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide?
2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107022791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).