4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide

C22H22N2O2S — CID 91625766

IUPAC4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H22N2O2S/c25-21(22(10-13-26-14-11-22)18-7-2-1-3-8-18)24-16-17-6-4-12-23-20(17)19-9-5-15-27-19/h1-9,12,15H,10-11,13-14,16H2,(H,24,25)
InChIKeyCZTLDJBTSRUPAJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.17
Rot. Bonds5

About 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide

4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide (PubChem CID 91625766) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide
PubChem CID91625766
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H22N2O2S/c25-21(22(10-13-26-14-11-22)18-7-2-1-3-8-18)24-16-17-6-4-12-23-20(17)19-9-5-15-27-19/h1-9,12,15H,10-11,13-14,16H2,(H,24,25)
InChIKeyCZTLDJBTSRUPAJ-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
2-[[(4-phenyloxane-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245095
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 91630268
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide
CID 126850412
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide
CID 91625826
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide (CID 91625766) is 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide is O=C(NCc1cccnc1-c1cccs1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
The InChIKey is CZTLDJBTSRUPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-21(22(10-13-26-14-11-22)18-7-2-1-3-8-18)24-16-17-6-4-12-23-20(17)19-9-5-15-27-19/h1-9,12,15H,10-11,13-14,16H2,(H,24,25).
What are the key properties of 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 91625766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).