5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

C18H22N4O3S — CID 109285271

IUPAC5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C18H22N4O3S/c1-3-13-6-4-5-12(2)17(13)22-18(23)15-9-20-16(10-19-15)21-14-7-8-26(24,25)11-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyIBYYUOHQWTVULS-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.20
Rot. Bonds5

About 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109285271) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
PubChem CID109285271
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C18H22N4O3S/c1-3-13-6-4-5-12(2)17(13)22-18(23)15-9-20-16(10-19-15)21-14-7-8-26(24,25)11-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyIBYYUOHQWTVULS-UHFFFAOYSA-N
XLogP2.20
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109351751
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109173345
5-(cyclopropylamino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109271857
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285416
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109193306
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285324
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
5-(cyclopentylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109274174

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (CID 109285271) is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is IBYYUOHQWTVULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-13-6-4-5-12(2)17(13)22-18(23)15-9-20-16(10-19-15)21-14-7-8-26(24,25)11-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).