[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate

C17H18N4O4S — CID 154863270

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate
SMILESCCSc1nccnc1C(=O)OCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C17H18N4O4S/c1-3-26-16-14(19-8-9-20-16)17(24)25-10-13(22)21-12-6-4-11(5-7-12)15(23)18-2/h4-9H,3,10H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyWEZQRHWTHAVGLR-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.74
Rot. Bonds7

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate (PubChem CID 154863270) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate
PubChem CID154863270
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate
SMILESCCSc1nccnc1C(=O)OCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C17H18N4O4S/c1-3-26-16-14(19-8-9-20-16)17(24)25-10-13(22)21-12-6-4-11(5-7-12)15(23)18-2/h4-9H,3,10H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyWEZQRHWTHAVGLR-UHFFFAOYSA-N
XLogP1.74
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate 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

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009486
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 34768194
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201449
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469302
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664457
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540649
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-iodobenzoate
CID 27877619
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809104
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405454
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 27968156
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491185
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate (CID 154863270) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate is CCSc1nccnc1C(=O)OCC(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate?
The InChIKey is WEZQRHWTHAVGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-3-26-16-14(19-8-9-20-16)17(24)25-10-13(22)21-12-6-4-11(5-7-12)15(23)18-2/h4-9H,3,10H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate is sourced from PubChem (CID 154863270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).