2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide

C15H22N2O3S — CID 748516

IUPAC2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H22N2O3S/c1-19-14-11-12(21-2)3-4-13(14)15(18)16-5-6-17-7-9-20-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)
InChIKeyVOZPMLVSPDVKMU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.48
Rot. Bonds6

About 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide

2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 748516) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID748516
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H22N2O3S/c1-19-14-11-12(21-2)3-4-13(14)15(18)16-5-6-17-7-9-20-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)
InChIKeyVOZPMLVSPDVKMU-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide (CID 748516) is 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(SC)ccc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VOZPMLVSPDVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-19-14-11-12(21-2)3-4-13(14)15(18)16-5-6-17-7-9-20-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 748516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).