2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide

C16H24N2O3S — CID 46772645

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(22-15-5-3-14(20-2)4-6-15)16(19)17-7-8-18-9-11-21-12-10-18/h3-6,13H,7-12H2,1-2H3,(H,17,19)
InChIKeyKUOVIHWWOUIGST-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.62
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide

2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 46772645) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID46772645
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(22-15-5-3-14(20-2)4-6-15)16(19)17-7-8-18-9-11-21-12-10-18/h3-6,13H,7-12H2,1-2H3,(H,17,19)
InChIKeyKUOVIHWWOUIGST-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide
CID 132760895
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 42910246
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide (CID 46772645) is 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide is COc1ccc(SC(C)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is KUOVIHWWOUIGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(22-15-5-3-14(20-2)4-6-15)16(19)17-7-8-18-9-11-21-12-10-18/h3-6,13H,7-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.62, 7 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-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 46772645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).