3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

C23H30N2O2S — CID 49008652

IUPAC3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1cccc(CN2CCSCC2)c1C
InChIInChI=1S/C23H30N2O2S/c1-3-27-22-10-5-4-7-19(22)11-12-23(26)24-21-9-6-8-20(18(21)2)17-25-13-15-28-16-14-25/h4-10H,3,11-17H2,1-2H3,(H,24,26)
InChIKeyBUMFSLXVKXQQMY-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.51
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 49008652) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
PubChem CID49008652
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1cccc(CN2CCSCC2)c1C
InChIInChI=1S/C23H30N2O2S/c1-3-27-22-10-5-4-7-19(22)11-12-23(26)24-21-9-6-8-20(18(21)2)17-25-13-15-28-16-14-25/h4-10H,3,11-17H2,1-2H3,(H,24,26)
InChIKeyBUMFSLXVKXQQMY-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284
N-(2,3-dimethylphenyl)-2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9435359
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 47086736
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 32964591
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
N-[4-[2-methyl-3-(thiomorpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 49008672
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 55388712
2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119870055
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (CID 49008652) is 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is CCOc1ccccc1CCC(=O)Nc1cccc(CN2CCSCC2)c1C.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is BUMFSLXVKXQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-3-27-22-10-5-4-7-19(22)11-12-23(26)24-21-9-6-8-20(18(21)2)17-25-13-15-28-16-14-25/h4-10H,3,11-17H2,1-2H3,(H,24,26).
What are the key properties of 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 398.57 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 49008652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).