2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide

C22H28N2O3S — CID 8908520

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(23-21(25)16-28-20-10-8-19(26-2)9-11-20)22(18-6-4-3-5-7-18)24-12-14-27-15-13-24/h3-11,17,22H,12-16H2,1-2H3,(H,23,25)/t17-,22+/m0/s1
InChIKeyJYWUDZJJZRFYAT-HTAPYJJXSA-N
MW400.54 g/mol
LogP3.37
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (PubChem CID 8908520) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
PubChem CID8908520
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(23-21(25)16-28-20-10-8-19(26-2)9-11-20)22(18-6-4-3-5-7-18)24-12-14-27-15-13-24/h3-11,17,22H,12-16H2,1-2H3,(H,23,25)/t17-,22+/m0/s1
InChIKeyJYWUDZJJZRFYAT-HTAPYJJXSA-N
XLogP3.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide with MolForge

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 25359698
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908519
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
2-(2,4-difluorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8771178
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8552654
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8540974
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (CID 8908520) is 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is COc1ccc(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The InChIKey is JYWUDZJJZRFYAT-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17(23-21(25)16-28-20-10-8-19(26-2)9-11-20)22(18-6-4-3-5-7-18)24-12-14-27-15-13-24/h3-11,17,22H,12-16H2,1-2H3,(H,23,25)/t17-,22+/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 8908520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).