2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

C18H21N3O3S — CID 42392964

IUPAC2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2cccnc2N2CCOCC2)cs1
InChIInChI=1S/C18H21N3O3S/c1-13(22)16-9-14(12-25-16)10-17(23)20-11-15-3-2-4-19-18(15)21-5-7-24-8-6-21/h2-4,9,12H,5-8,10-11H2,1H3,(H,20,23)
InChIKeyLKQMLXYQUCPFAL-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.04
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (PubChem CID 42392964) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
PubChem CID42392964
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2cccnc2N2CCOCC2)cs1
InChIInChI=1S/C18H21N3O3S/c1-13(22)16-9-14(12-25-16)10-17(23)20-11-15-3-2-4-19-18(15)21-5-7-24-8-6-21/h2-4,9,12H,5-8,10-11H2,1H3,(H,20,23)
InChIKeyLKQMLXYQUCPFAL-UHFFFAOYSA-N
XLogP2.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (CID 42392964) is 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is CC(=O)c1cc(CC(=O)NCc2cccnc2N2CCOCC2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is LKQMLXYQUCPFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13(22)16-9-14(12-25-16)10-17(23)20-11-15-3-2-4-19-18(15)21-5-7-24-8-6-21/h2-4,9,12H,5-8,10-11H2,1H3,(H,20,23).
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 42392964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).