N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

C20H18N4O5S — CID 89238296

IUPACN-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(Oc3cncc(C)n3)cc1)C2
InChIInChI=1S/C20H18N4O5S/c1-3-18(25)23-19-8-14-11-24(12-17(14)29-19)30(26,27)16-6-4-15(5-7-16)28-20-10-21-9-13(2)22-20/h3-10H,1,11-12H2,2H3,(H,23,25)
InChIKeyXHCCXAHEVCAKSR-UHFFFAOYSA-N
MW426.45 g/mol
LogP3.00
Rot. Bonds6

About N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89238296) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89238296
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC NameN-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(Oc3cncc(C)n3)cc1)C2
InChIInChI=1S/C20H18N4O5S/c1-3-18(25)23-19-8-14-11-24(12-17(14)29-19)30(26,27)16-6-4-15(5-7-16)28-20-10-21-9-13(2)22-20/h3-10H,1,11-12H2,2H3,(H,23,25)
InChIKeyXHCCXAHEVCAKSR-UHFFFAOYSA-N
XLogP3.00
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-cyclopentyloxyphenyl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237448
N-[5-(1,3-benzothiazol-6-ylsulfonyl)-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238441
[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid
CID 89238579
N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
CID 89235902
N-[5-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238402
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89236220
N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89236888
4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 89238027
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237208
N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238440
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 89239056
N-[2,6-dimethyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238967

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89238296) is N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(Oc3cncc(C)n3)cc1)C2.
What is the InChIKey of N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is XHCCXAHEVCAKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-3-18(25)23-19-8-14-11-24(12-17(14)29-19)30(26,27)16-6-4-15(5-7-16)28-20-10-21-9-13(2)22-20/h3-10H,1,11-12H2,2H3,(H,23,25).
What are the key properties of N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 426.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89238296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).