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

C20H19N5O4S — CID 157129575

IUPACN-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cccc(N)c3)cnc2N)cc1
InChIInChI=1S/C20H19N5O4S/c1-12(26)25-30(28,29)16-7-5-13(6-8-16)9-18(27)19-20(22)23-11-17(24-19)14-3-2-4-15(21)10-14/h2-8,10-11H,9,21H2,1H3,(H2,22,23)(H,25,26)
InChIKeyBHIAHEUPSSEBMO-UHFFFAOYSA-N
MW425.47 g/mol
LogP1.56
Rot. Bonds6

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

N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 157129575) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID157129575
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC NameN-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cccc(N)c3)cnc2N)cc1
InChIInChI=1S/C20H19N5O4S/c1-12(26)25-30(28,29)16-7-5-13(6-8-16)9-18(27)19-20(22)23-11-17(24-19)14-3-2-4-15(21)10-14/h2-8,10-11H,9,21H2,1H3,(H2,22,23)(H,25,26)
InChIKeyBHIAHEUPSSEBMO-UHFFFAOYSA-N
XLogP1.56
TPSA158.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Azd2858
CID 10138980
VE-821
CID 51000408
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide
CID 10254786
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 56603751
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-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10138033
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide
CID 56947174

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 157129575) is N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cccc(N)c3)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is BHIAHEUPSSEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-12(26)25-30(28,29)16-7-5-13(6-8-16)9-18(27)19-20(22)23-11-17(24-19)14-3-2-4-15(21)10-14/h2-8,10-11H,9,21H2,1H3,(H2,22,23)(H,25,26).
What are the key properties of N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 425.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-(3-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 157129575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).