2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide

C14H22N2O2S — CID 16931734

IUPAC2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide
SMILESCC(C)C(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)14(17)15-9-13(12-3-8-19-10-12)16-4-6-18-7-5-16/h3,8,10-11,13H,4-7,9H2,1-2H3,(H,15,17)
InChIKeySXDQYAWXWUCMDF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide

2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide (PubChem CID 16931734) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide
PubChem CID16931734
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide
SMILESCC(C)C(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)14(17)15-9-13(12-3-8-19-10-12)16-4-6-18-7-5-16/h3,8,10-11,13H,4-7,9H2,1-2H3,(H,15,17)
InChIKeySXDQYAWXWUCMDF-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide (CID 16931734) is 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide is CC(C)C(=O)NCC(c1ccsc1)N1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide?
The InChIKey is SXDQYAWXWUCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)14(17)15-9-13(12-3-8-19-10-12)16-4-6-18-7-5-16/h3,8,10-11,13H,4-7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide?
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 16931734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).