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

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Related Compounds

N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980349
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719606
2-(Cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one
CID 118720007
N-(2-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 2811167
1-(4-Pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 3504933
N-(6-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 3776044
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106826
5-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106919
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 18106949

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).