N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C24H19FN4O2S — CID 1435551

IUPACN-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C24H19FN4O2S/c25-18-8-10-19(11-9-18)28-23(30)22(17-5-2-1-3-6-17)29(16-20-7-4-14-32-20)24(31)21-15-26-12-13-27-21/h1-15,22H,16H2,(H,28,30)/t22-/m1/s1
InChIKeyRJCZNIDJLXIRJC-JOCHJYFZSA-N
MW446.51 g/mol
LogP4.70
Rot. Bonds7

About N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 1435551) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID1435551
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC NameN-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C24H19FN4O2S/c25-18-8-10-19(11-9-18)28-23(30)22(17-5-2-1-3-6-17)29(16-20-7-4-14-32-20)24(31)21-15-26-12-13-27-21/h1-15,22H,16H2,(H,28,30)/t22-/m1/s1
InChIKeyRJCZNIDJLXIRJC-JOCHJYFZSA-N
XLogP4.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 3201989
N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 3188503
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 1435572
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434676
N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3202126
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435482
N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202003
N-benzyl-N-[1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202118
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434766
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3202136
N-benzyl-N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 3201992
N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 3202137

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 1435551) is N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1cnccn1.
What is the InChIKey of N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is RJCZNIDJLXIRJC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c25-18-8-10-19(11-9-18)28-23(30)22(17-5-2-1-3-6-17)29(16-20-7-4-14-32-20)24(31)21-15-26-12-13-27-21/h1-15,22H,16H2,(H,28,30)/t22-/m1/s1.
What are the key properties of N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1435551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).