2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide

C18H28N2O4S — CID 95886548

IUPAC2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide
SMILESCOc1cc(SC)c(OC)cc1CN1CCOC[C@H]1CC(=O)N(C)C
InChIInChI=1S/C18H28N2O4S/c1-19(2)18(21)9-14-12-24-7-6-20(14)11-13-8-16(23-4)17(25-5)10-15(13)22-3/h8,10,14H,6-7,9,11-12H2,1-5H3/t14-/m1/s1
InChIKeyLLHFSPGIOQMCJL-CQSZACIVSA-N
MW368.50 g/mol
LogP2.10
Rot. Bonds7

About 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide

2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide (PubChem CID 95886548) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide
PubChem CID95886548
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide
SMILESCOc1cc(SC)c(OC)cc1CN1CCOC[C@H]1CC(=O)N(C)C
InChIInChI=1S/C18H28N2O4S/c1-19(2)18(21)9-14-12-24-7-6-20(14)11-13-8-16(23-4)17(25-5)10-15(13)22-3/h8,10,14H,6-7,9,11-12H2,1-5H3/t14-/m1/s1
InChIKeyLLHFSPGIOQMCJL-CQSZACIVSA-N
XLogP2.10
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

(4S,9aR)-8-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155913642
2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide
CID 95886302
[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99935125
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl-methylamino]acetaldehyde
CID 115223153
N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193852
2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone
CID 56881885
2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide
CID 95871764
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83101094
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide (CID 95886548) is 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide is COc1cc(SC)c(OC)cc1CN1CCOC[C@H]1CC(=O)N(C)C.
What is the InChIKey of 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide?
The InChIKey is LLHFSPGIOQMCJL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-19(2)18(21)9-14-12-24-7-6-20(14)11-13-8-16(23-4)17(25-5)10-15(13)22-3/h8,10,14H,6-7,9,11-12H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide?
2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide has a molecular weight of 368.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95886548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).