N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide

C24H32N2O3S — CID 55745595

IUPACN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NCc2ccccc2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C24H32N2O3S/c1-18-15-26(16-19(2)29-18)17-21-7-5-4-6-20(21)14-25-24(27)12-13-30-23-10-8-22(28-3)9-11-23/h4-11,18-19H,12-17H2,1-3H3,(H,25,27)
InChIKeyZDZXUHHVDFZLKC-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.10
Rot. Bonds9

About N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 55745595) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID55745595
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NCc2ccccc2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C24H32N2O3S/c1-18-15-26(16-19(2)29-18)17-21-7-5-4-6-20(21)14-25-24(27)12-13-30-23-10-8-22(28-3)9-11-23/h4-11,18-19H,12-17H2,1-3H3,(H,25,27)
InChIKeyZDZXUHHVDFZLKC-UHFFFAOYSA-N
XLogP4.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9069058
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55745875
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
3-(4-methoxyphenyl)sulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 34566091
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481313
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 47042309
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 39983244
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide (CID 55745595) is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)NCc2ccccc2CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is ZDZXUHHVDFZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18-15-26(16-19(2)29-18)17-21-7-5-4-6-20(21)14-25-24(27)12-13-30-23-10-8-22(28-3)9-11-23/h4-11,18-19H,12-17H2,1-3H3,(H,25,27).
What are the key properties of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 428.60 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 55745595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).