5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide

C22H23N3O3S — CID 117093443

IUPAC5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C22H23N3O3S/c26-22(23-10-13-28-18-4-2-1-3-5-18)20-8-7-19(29-20)17-6-9-21(24-16-17)25-11-14-27-15-12-25/h1-9,16H,10-15H2,(H,23,26)
InChIKeyKAYICNKWSZJCQU-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.46
Rot. Bonds7

About 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide

5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide (PubChem CID 117093443) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
PubChem CID117093443
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C22H23N3O3S/c26-22(23-10-13-28-18-4-2-1-3-5-18)20-8-7-19(29-20)17-6-9-21(24-16-17)25-11-14-27-15-12-25/h1-9,16H,10-15H2,(H,23,26)
InChIKeyKAYICNKWSZJCQU-UHFFFAOYSA-N
XLogP3.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 117084261
5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 117088244
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117084087
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
CID 117082236
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015
5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 46580563
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide
CID 146331694

Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide (CID 117093443) is 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide is O=C(NCCOc1ccccc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1.
What is the InChIKey of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide?
The InChIKey is KAYICNKWSZJCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(23-10-13-28-18-4-2-1-3-5-18)20-8-7-19(29-20)17-6-9-21(24-16-17)25-11-14-27-15-12-25/h1-9,16H,10-15H2,(H,23,26).
What are the key properties of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide?
5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 117093443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).