N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C20H31N3O3S — CID 25162676

IUPACN-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C20H31N3O3S/c1-20(2,23-10-12-26-13-11-23)15-21-19(25)17(9-14-27-3)22-18(24)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNJOHXQWLKGBTRN-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.77
Rot. Bonds9

About N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 25162676) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID25162676
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C20H31N3O3S/c1-20(2,23-10-12-26-13-11-23)15-21-19(25)17(9-14-27-3)22-18(24)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNJOHXQWLKGBTRN-UHFFFAOYSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 25162676) is N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is NJOHXQWLKGBTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-20(2,23-10-12-26-13-11-23)15-21-19(25)17(9-14-27-3)22-18(24)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 393.55 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 25162676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).