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

C18H28N2O2S — CID 51100289

IUPAC3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)COCCC(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C18H28N2O2S/c1-15(2)14-22-10-7-18(21)19-17-6-4-3-5-16(17)13-20-8-11-23-12-9-20/h3-6,15H,7-14H2,1-2H3,(H,19,21)
InChIKeyBGGMZAZYCVGOTQ-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.24
Rot. Bonds8

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

3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 51100289) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
PubChem CID51100289
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)COCCC(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C18H28N2O2S/c1-15(2)14-22-10-7-18(21)19-17-6-4-3-5-16(17)13-20-8-11-23-12-9-20/h3-6,15H,7-14H2,1-2H3,(H,19,21)
InChIKeyBGGMZAZYCVGOTQ-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide (CID 51100289) is 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide is CC(C)COCCC(=O)Nc1ccccc1CN1CCSCC1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is BGGMZAZYCVGOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15(2)14-22-10-7-18(21)19-17-6-4-3-5-16(17)13-20-8-11-23-12-9-20/h3-6,15H,7-14H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 336.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 51100289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).