N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide

C17H19N5O4S — CID 109285306

IUPACN-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C17H19N5O4S/c1-11(23)20-12-2-4-13(5-3-12)22-17(24)15-8-19-16(9-18-15)21-14-6-7-27(25,26)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyYQTXASCJOQYYAT-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.29
Rot. Bonds5

About N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide

N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109285306) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109285306
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C17H19N5O4S/c1-11(23)20-12-2-4-13(5-3-12)22-17(24)15-8-19-16(9-18-15)21-14-6-7-27(25,26)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyYQTXASCJOQYYAT-UHFFFAOYSA-N
XLogP1.29
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]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-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285324
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285271
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109193159
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
6-[(1,1-dioxothiolan-3-yl)amino]-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109159281
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide (CID 109285306) is N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is YQTXASCJOQYYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-11(23)20-12-2-4-13(5-3-12)22-17(24)15-8-19-16(9-18-15)21-14-6-7-27(25,26)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,19,21)(H,20,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).