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

C22H23N3O3S — CID 55985293

IUPACN-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3C2c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-23-29(27,28)19-12-10-18(11-13-19)22(26)25-16-15-24-14-6-9-20(24)21(25)17-7-4-3-5-8-17/h3-14,21,23H,2,15-16H2,1H3
InChIKeyKVURYWPIYFAWQV-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.03
Rot. Bonds5

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

N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide (PubChem CID 55985293) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
PubChem CID55985293
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3C2c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-23-29(27,28)19-12-10-18(11-13-19)22(26)25-16-15-24-14-6-9-20(24)21(25)17-7-4-3-5-8-17/h3-14,21,23H,2,15-16H2,1H3
InChIKeyKVURYWPIYFAWQV-UHFFFAOYSA-N
XLogP3.03
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 33166182
4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 75429902
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
N-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)phenyl]-2H-benzotriazole-5-sulfonamide
CID 166183856
N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
CID 55558056
(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
(1S)-N-methyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7136142
[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone
CID 92955733
1-tert-butyl-3-ethyl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]urea
CID 42813729
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 79406673

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide (CID 55985293) is N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)N2CCn3cccc3C2c2ccccc2)cc1.
What is the InChIKey of N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
The InChIKey is KVURYWPIYFAWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-23-29(27,28)19-12-10-18(11-13-19)22(26)25-16-15-24-14-6-9-20(24)21(25)17-7-4-3-5-8-17/h3-14,21,23H,2,15-16H2,1H3.
What are the key properties of N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55985293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).