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

C21H25ClN2O2S — CID 8555472

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CSc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H25ClN2O2S/c1-16(23-20(25)15-27-19-10-6-5-9-18(19)22)21(17-7-3-2-4-8-17)24-11-13-26-14-12-24/h2-10,16,21H,11-15H2,1H3,(H,23,25)/t16-,21-/m0/s1
InChIKeyZLAZMFSNEUDAKY-KKSFZXQISA-N
MW404.96 g/mol
LogP4.01
Rot. Bonds7

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

2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (PubChem CID 8555472) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
PubChem CID8555472
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CSc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H25ClN2O2S/c1-16(23-20(25)15-27-19-10-6-5-9-18(19)22)21(17-7-3-2-4-8-17)24-11-13-26-14-12-24/h2-10,16,21H,11-15H2,1H3,(H,23,25)/t16-,21-/m0/s1
InChIKeyZLAZMFSNEUDAKY-KKSFZXQISA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8771178
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8552654
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908520
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8540974
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 4079061
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 25359698
2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2337002

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (CID 8555472) is 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is C[C@H](NC(=O)CSc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The InChIKey is ZLAZMFSNEUDAKY-KKSFZXQISA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c1-16(23-20(25)15-27-19-10-6-5-9-18(19)22)21(17-7-3-2-4-8-17)24-11-13-26-14-12-24/h2-10,16,21H,11-15H2,1H3,(H,23,25)/t16-,21-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide has a molecular weight of 404.96 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 8555472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).