N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide

C19H25N3O3S — CID 53179757

IUPACN-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)c1
InChIInChI=1S/C19H25N3O3S/c1-13(2)11-22-6-5-21-12-17(10-18(21)19(22)23)26(24,25)20-16-8-14(3)7-15(4)9-16/h7-10,12-13,20H,5-6,11H2,1-4H3
InChIKeyVQTWJEPTGZSIBU-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.02
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide

N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179757) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179757
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)c1
InChIInChI=1S/C19H25N3O3S/c1-13(2)11-22-6-5-21-12-17(10-18(21)19(22)23)26(24,25)20-16-8-14(3)7-15(4)9-16/h7-10,12-13,20H,5-6,11H2,1-4H3
InChIKeyVQTWJEPTGZSIBU-UHFFFAOYSA-N
XLogP3.02
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179758
2-ethyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179650
N-(3,4-dimethylphenyl)-2-ethyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179662
N-(3-methylphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179713
N-(3,5-difluorophenyl)-2-ethyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182944
2-ethyl-N-(3-fluorophenyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 83273515
N-(3,5-dimethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179717
N-(3-ethylphenyl)-1-oxo-2-propyl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 83273824
N-(3,4-difluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179727
2-ethyl-N-(4-fluorophenyl)-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182925
N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179626
2-ethyl-N-(2-fluoro-4-methylphenyl)-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182954

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179757) is N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is VQTWJEPTGZSIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13(2)11-22-6-5-21-12-17(10-18(21)19(22)23)26(24,25)20-16-8-14(3)7-15(4)9-16/h7-10,12-13,20H,5-6,11H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).