N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide

C21H27N3O2S — CID 55786353

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)c1
InChIInChI=1S/C21H27N3O2S/c1-14-5-6-15(2)19(9-14)27-13-21(25)23-18-7-8-20(22-10-18)24-11-16(3)26-17(4)12-24/h5-10,16-17H,11-13H2,1-4H3,(H,23,25)
InChIKeyGHRDRGUMMGHDFF-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.04
Rot. Bonds5

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 55786353) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID55786353
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)c1
InChIInChI=1S/C21H27N3O2S/c1-14-5-6-15(2)19(9-14)27-13-21(25)23-18-7-8-20(22-10-18)24-11-16(3)26-17(4)12-24/h5-10,16-17H,11-13H2,1-4H3,(H,23,25)
InChIKeyGHRDRGUMMGHDFF-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55964414
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 37317252
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
CID 55960129
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(4-sulfamoylphenyl)acetamide
CID 56510821
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
N-[3-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 51958844
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
CID 98764784
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
CID 51958852
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 55786353) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)c1.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is GHRDRGUMMGHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-14-5-6-15(2)19(9-14)27-13-21(25)23-18-7-8-20(22-10-18)24-11-16(3)26-17(4)12-24/h5-10,16-17H,11-13H2,1-4H3,(H,23,25).
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 385.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 55786353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).