2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide

C17H26N2O2S — CID 131937279

IUPAC2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide
SMILESCCCSc1ccc(NC(=O)C(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-4-13-22-15-7-5-14(6-8-15)18-16(20)17(2,3)19-9-11-21-12-10-19/h5-8H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyXHQWLMIQRLUVLU-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.24
Rot. Bonds6

About 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide

2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide (PubChem CID 131937279) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide
PubChem CID131937279
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide
SMILESCCCSc1ccc(NC(=O)C(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-4-13-22-15-7-5-14(6-8-15)18-16(20)17(2,3)19-9-11-21-12-10-19/h5-8H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyXHQWLMIQRLUVLU-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
2-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 847697
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3900118
2-(2-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4792203
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 4964578
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4965141
2-[[2-(4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8450269
N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide
CID 2621639
2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 4884933

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide (CID 131937279) is 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide is CCCSc1ccc(NC(=O)C(C)(C)N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide?
The InChIKey is XHQWLMIQRLUVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-13-22-15-7-5-14(6-8-15)18-16(20)17(2,3)19-9-11-21-12-10-19/h5-8H,4,9-13H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide?
2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide has a molecular weight of 322.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-(4-propylsulfanylphenyl)propanamide is sourced from PubChem (CID 131937279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).