N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C25H21FN4O2S — CID 3188503

IUPACN-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C25H21FN4O2S/c26-20-10-8-19(9-11-20)23(24(31)29-15-18-5-2-1-3-6-18)30(17-21-7-4-14-33-21)25(32)22-16-27-12-13-28-22/h1-14,16,23H,15,17H2,(H,29,31)
InChIKeyTUKYWZJSGSADQY-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.38
Rot. Bonds8

About N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 3188503) has the molecular formula C25H21FN4O2S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID3188503
Molecular FormulaC25H21FN4O2S
Molecular Weight460.53 g/mol
Exact Mass460.14
IUPAC NameN-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C25H21FN4O2S/c26-20-10-8-19(9-11-20)23(24(31)29-15-18-5-2-1-3-6-18)30(17-21-7-4-14-33-21)25(32)22-16-27-12-13-28-22/h1-14,16,23H,15,17H2,(H,29,31)
InChIKeyTUKYWZJSGSADQY-UHFFFAOYSA-N
XLogP4.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-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

N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 1435551
N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 51686529
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434676
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 1435572
N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 3201989
N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1174495
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435482
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1466064
N-[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 25303346
N-[2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 3188488
N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[4-(dimethylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 3188500

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 3188503) is N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ccccc1)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1.
What is the InChIKey of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is TUKYWZJSGSADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2S/c26-20-10-8-19(9-11-20)23(24(31)29-15-18-5-2-1-3-6-18)30(17-21-7-4-14-33-21)25(32)22-16-27-12-13-28-22/h1-14,16,23H,15,17H2,(H,29,31).
What are the key properties of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3188503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).