2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide

C15H15ClN2OS — CID 4783071

IUPAC2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C15H15ClN2OS/c1-20-12-5-6-14(16)13(10-12)15(19)18-9-7-11-4-2-3-8-17-11/h2-6,8,10H,7,9H2,1H3,(H,18,19)
InChIKeyZOHPQLSWBZDPHT-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide

2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 4783071) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID4783071
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C15H15ClN2OS/c1-20-12-5-6-14(16)13(10-12)15(19)18-9-7-11-4-2-3-8-17-11/h2-6,8,10H,7,9H2,1H3,(H,18,19)
InChIKeyZOHPQLSWBZDPHT-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114921592
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 62171740
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
6-amino-3-chloro-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62153756
2-chloro-5-methylsulfanyl-N-[(E)-pent-3-enyl]benzamide
CID 113236475
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide (CID 4783071) is 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide is CSc1ccc(Cl)c(C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is ZOHPQLSWBZDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-20-12-5-6-14(16)13(10-12)15(19)18-9-7-11-4-2-3-8-17-11/h2-6,8,10H,7,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide?
2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 306.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 4783071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).