N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

C19H28N2O3S — CID 8511091

IUPACN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(=O)N(C)CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C19H28N2O3S/c1-13-10-14(2)16(4)19(15(13)3)25-12-18(23)20(5)11-17(22)21-6-8-24-9-7-21/h10H,6-9,11-12H2,1-5H3
InChIKeyOEEUFMCOZFJIFZ-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (PubChem CID 8511091) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
PubChem CID8511091
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(=O)N(C)CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C19H28N2O3S/c1-13-10-14(2)16(4)19(15(13)3)25-12-18(23)20(5)11-17(22)21-6-8-24-9-7-21/h10H,6-9,11-12H2,1-5H3
InChIKeyOEEUFMCOZFJIFZ-UHFFFAOYSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (CID 8511091) is N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The canonical SMILES for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is Cc1cc(C)c(C)c(SCC(=O)N(C)CC(=O)N2CCOCC2)c1C.
What is the InChIKey of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The InChIKey is OEEUFMCOZFJIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-13-10-14(2)16(4)19(15(13)3)25-12-18(23)20(5)11-17(22)21-6-8-24-9-7-21/h10H,6-9,11-12H2,1-5H3.
What are the key properties of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide has a molecular weight of 364.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is sourced from PubChem (CID 8511091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).