4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide

C19H23N3O3S — CID 75429902

IUPAC4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3C2CC)cc1
InChIInChI=1S/C19H23N3O3S/c1-3-11-20-26(24,25)16-9-7-15(8-10-16)19(23)22-14-13-21-12-5-6-18(21)17(22)4-2/h3,5-10,12,17,20H,1,4,11,13-14H2,2H3
InChIKeyXQTYFHLKAUJCME-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.56
Rot. Bonds6

About 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide

4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 75429902) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID75429902
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3C2CC)cc1
InChIInChI=1S/C19H23N3O3S/c1-3-11-20-26(24,25)16-9-7-15(8-10-16)19(23)22-14-13-21-12-5-6-18(21)17(22)4-2/h3,5-10,12,17,20H,1,4,11,13-14H2,2H3
InChIKeyXQTYFHLKAUJCME-UHFFFAOYSA-N
XLogP2.56
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide 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-fluoro-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 55911985
N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
CID 55985293
4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 120572157
4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 24627974
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-(3-methylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 119580645
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542229
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119398750
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 9158819
N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442277

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide (CID 75429902) is 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3C2CC)cc1.
What is the InChIKey of 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is XQTYFHLKAUJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-11-20-26(24,25)16-9-7-15(8-10-16)19(23)22-14-13-21-12-5-6-18(21)17(22)4-2/h3,5-10,12,17,20H,1,4,11,13-14H2,2H3.
What are the key properties of 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide?
4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 75429902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).