N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide

C19H20N4O4S — CID 89235902

IUPACN-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
SMILESC=CC(=O)NC1C2CN(S(=O)(=O)c3cccc(Oc4cncc(C)n4)c3)CC21
InChIInChI=1S/C19H20N4O4S/c1-3-17(24)22-19-15-10-23(11-16(15)19)28(25,26)14-6-4-5-13(7-14)27-18-9-20-8-12(2)21-18/h3-9,15-16,19H,1,10-11H2,2H3,(H,22,24)
InChIKeyRSKTUVNZSFCJIK-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.50
Rot. Bonds6

About N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide

N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide (PubChem CID 89235902) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
PubChem CID89235902
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
SMILESC=CC(=O)NC1C2CN(S(=O)(=O)c3cccc(Oc4cncc(C)n4)c3)CC21
InChIInChI=1S/C19H20N4O4S/c1-3-17(24)22-19-15-10-23(11-16(15)19)28(25,26)14-6-4-5-13(7-14)27-18-9-20-8-12(2)21-18/h3-9,15-16,19H,1,10-11H2,2H3,(H,22,24)
InChIKeyRSKTUVNZSFCJIK-UHFFFAOYSA-N
XLogP1.50
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-dimethyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238967
N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89236888
N-[3-(4-phenoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
CID 89239122
N-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]azepan-3-yl]prop-2-enamide
CID 89236222
N-[3-(4-nitrophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
CID 89238635
N-[1-[(6-phenyl-3-pyridinyl)sulfonyl]azetidin-3-yl]prop-2-enamide
CID 89237229
[2-phenyl-1-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]ethyl]carbamic acid
CID 89239193
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237397
N-(2-phenylethyl)-4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]benzamide
CID 89237968
2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733
N-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89237996

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide?
The IUPAC name of N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide (CID 89235902) is N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide?
The canonical SMILES for N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide is C=CC(=O)NC1C2CN(S(=O)(=O)c3cccc(Oc4cncc(C)n4)c3)CC21.
What is the InChIKey of N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide?
The InChIKey is RSKTUVNZSFCJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-17(24)22-19-15-10-23(11-16(15)19)28(25,26)14-6-4-5-13(7-14)27-18-9-20-8-12(2)21-18/h3-9,15-16,19H,1,10-11H2,2H3,(H,22,24).
What are the key properties of N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide?
N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide has a molecular weight of 400.46 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide is sourced from PubChem (CID 89235902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).