N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

C23H20N4O4S — CID 158744155

IUPACN-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1
InChIInChI=1S/C23H20N4O4S/c1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18/h2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28)
InChIKeyXZDFWPXRAHOZAM-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.55
Rot. Bonds6

About N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 158744155) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID158744155
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC NameN-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1
InChIInChI=1S/C23H20N4O4S/c1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18/h2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28)
InChIKeyXZDFWPXRAHOZAM-UHFFFAOYSA-N
XLogP2.55
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-6-[2-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118014
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
CID 10113102
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
3-amino-6-[2,5-dimethyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118731
3-amino-N-(3-pyridyl)-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
CID 10177172
3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10207408
3-amino-N-methyl-6-[3-(phenylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 60155377
3-amino-6-[3-(benzenesulfonamido)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155474
6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide
CID 121382833
4-[5-amino-6-(4,4-dimethyl-1,3-dioxoisoquinolin-6-yl)pyrazin-2-yl]-N-cyclopropylbenzenesulfonamide
CID 60196562

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 158744155) is N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is XZDFWPXRAHOZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18/h2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28).
What are the key properties of N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 448.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 158744155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).