N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide

C25H20FN3O2S — CID 43813426

IUPACN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1cccs1)N(C(=O)c1ccccn1)c1ccccc1F
InChIInChI=1S/C25H20FN3O2S/c26-19-11-4-5-13-21(19)29(25(31)20-12-6-7-15-27-20)23(22-14-8-16-32-22)24(30)28-17-18-9-2-1-3-10-18/h1-16,23H,17H2,(H,28,30)
InChIKeyLGFDGYRECMVSIQ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide

N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 43813426) has the molecular formula C25H20FN3O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID43813426
Molecular FormulaC25H20FN3O2S
Molecular Weight445.52 g/mol
Exact Mass445.13
IUPAC NameN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1cccs1)N(C(=O)c1ccccn1)c1ccccc1F
InChIInChI=1S/C25H20FN3O2S/c26-19-11-4-5-13-21(19)29(25(31)20-12-6-7-15-27-20)23(22-14-8-16-32-22)24(30)28-17-18-9-2-1-3-10-18/h1-16,23H,17H2,(H,28,30)
InChIKeyLGFDGYRECMVSIQ-UHFFFAOYSA-N
XLogP4.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 51687295
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 51552847
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 1466075
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 51686578
N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
CID 3221983
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 3210857
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51552912
N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 51685902
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1466064
N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 3188503
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(2,2,2-trifluoroethyl)phenyl]prop-2-ynamide
CID 45107396

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 43813426) is N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)C(c1cccs1)N(C(=O)c1ccccn1)c1ccccc1F.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is LGFDGYRECMVSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2S/c26-19-11-4-5-13-21(19)29(25(31)20-12-6-7-15-27-20)23(22-14-8-16-32-22)24(30)28-17-18-9-2-1-3-10-18/h1-16,23H,17H2,(H,28,30).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 43813426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).