2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide

C13H17ClN2O2S — CID 103548347

IUPAC2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC2COCCN2)c1
InChIInChI=1S/C13H17ClN2O2S/c1-19-10-2-3-12(14)11(6-10)13(17)16-7-9-8-18-5-4-15-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyAHZICPIFRZOMKU-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.78
Rot. Bonds4

About 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide

2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide (PubChem CID 103548347) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
PubChem CID103548347
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC2COCCN2)c1
InChIInChI=1S/C13H17ClN2O2S/c1-19-10-2-3-12(14)11(6-10)13(17)16-7-9-8-18-5-4-15-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyAHZICPIFRZOMKU-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548414
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
3-ethyl-6-methyl-N-(morpholin-3-ylmethyl)pyridazine-4-carboxamide
CID 103548617
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
2-methyl-N-(morpholin-3-ylmethyl)pyridine-3-carboxamide
CID 103548430
N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 103548664
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
5-methyl-N-(morpholin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 103548403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide (CID 103548347) is 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide is CSc1ccc(Cl)c(C(=O)NCC2COCCN2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide?
The InChIKey is AHZICPIFRZOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-19-10-2-3-12(14)11(6-10)13(17)16-7-9-8-18-5-4-15-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide?
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide has a molecular weight of 300.81 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide is sourced from PubChem (CID 103548347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).