N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide

C22H23N3O2S — CID 10318433

IUPACN-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(-c3ccncc3)cc2)cs1
InChIInChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)
InChIKeyVHKWGYDCLXOLAM-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.54
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide

N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 10318433) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID10318433
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(-c3ccncc3)cc2)cs1
InChIInChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)
InChIKeyVHKWGYDCLXOLAM-UHFFFAOYSA-N
XLogP3.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide (CID 10318433) is N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccc(-c3ccncc3)cc2)cs1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is VHKWGYDCLXOLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide?
N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-(4-pyridin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10318433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).