N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide

C22H21N3O4S — CID 139341535

IUPACN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(-c2cc(C)c3c(=O)[nH]ccn23)c1
InChIInChI=1S/C22H21N3O4S/c1-3-30(27,28)24-16-9-10-20(29-17-7-5-4-6-8-17)18(14-16)19-13-15(2)21-22(26)23-11-12-25(19)21/h4-14,24H,3H2,1-2H3,(H,23,26)
InChIKeySLFVMKSXTNOENO-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.16
Rot. Bonds6

About N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide

N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide (PubChem CID 139341535) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide
PubChem CID139341535
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(-c2cc(C)c3c(=O)[nH]ccn23)c1
InChIInChI=1S/C22H21N3O4S/c1-3-30(27,28)24-16-9-10-20(29-17-7-5-4-6-8-17)18(14-16)19-13-15(2)21-22(26)23-11-12-25(19)21/h4-14,24H,3H2,1-2H3,(H,23,26)
InChIKeySLFVMKSXTNOENO-UHFFFAOYSA-N
XLogP4.16
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
CID 139341564
6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341838
N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide
CID 165437019
N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 161400958
N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 139341571
6-[2-(4-chlorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341569
N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
CID 90018711
N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide
CID 90032034
N-[4-(2,4-difluorophenoxy)-3-(4-fluoro-2-methyl-6-oxo-1H-pyridin-3-yl)phenyl]ethanesulfonamide
CID 118025004
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-[3-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)-4-(4-methylphenoxy)phenyl]ethanesulfonamide
CID 170335458
N-(2-methyl-1,3-dioxoisoindol-5-yl)ethanesulfonamide
CID 60656195

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide?
The IUPAC name of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide (CID 139341535) is N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.
What is the InChIKey of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide?
The InChIKey is SLFVMKSXTNOENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-16-9-10-20(29-17-7-5-4-6-8-17)18(14-16)19-13-15(2)21-22(26)23-11-12-25(19)21/h4-14,24H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide?
N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide is sourced from PubChem (CID 139341535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).