[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate

C33H30N4O7S — CID 25035690

IUPAC[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
SMILESCCC(OC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C33H30N4O7S/c1-4-29(32(38)35-23-10-16-26(17-11-23)45(34,40)41)44-33(39)22-9-18-27-28(19-22)37-31(21-7-14-25(43-3)15-8-21)30(36-27)20-5-12-24(42-2)13-6-20/h5-19,29H,4H2,1-3H3,(H,35,38)(H2,34,40,41)
InChIKeySPPDODSMPNDBKZ-UHFFFAOYSA-N
MW626.69 g/mol
LogP5.20
Rot. Bonds10

About [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate

[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate (PubChem CID 25035690) has the molecular formula C33H30N4O7S and a molecular weight of 626.69 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
PubChem CID25035690
Molecular FormulaC33H30N4O7S
Molecular Weight626.69 g/mol
Exact Mass626.18
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
SMILESCCC(OC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C33H30N4O7S/c1-4-29(32(38)35-23-10-16-26(17-11-23)45(34,40)41)44-33(39)22-9-18-27-28(19-22)37-31(21-7-14-25(43-3)15-8-21)30(36-27)20-5-12-24(42-2)13-6-20/h5-19,29H,4H2,1-3H3,(H,35,38)(H2,34,40,41)
InChIKeySPPDODSMPNDBKZ-UHFFFAOYSA-N
XLogP5.20
TPSA159.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.69
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate with MolForge

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Related Compounds

[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23832000
[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 4-aminobenzoate
CID 25035298
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23915961
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23887917
[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23832104
[1-(2-fluoroanilino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23888200
[1-(3-chloroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23773819
[1-(2-bromoanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23971913
[1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 25035689
[(2R)-1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 1316810
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[1-(4-acetamidoanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23916326

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate (CID 25035690) is [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate is CCC(OC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
The InChIKey is SPPDODSMPNDBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O7S/c1-4-29(32(38)35-23-10-16-26(17-11-23)45(34,40)41)44-33(39)22-9-18-27-28(19-22)37-31(21-7-14-25(43-3)15-8-21)30(36-27)20-5-12-24(42-2)13-6-20/h5-19,29H,4H2,1-3H3,(H,35,38)(H2,34,40,41).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate has a molecular weight of 626.69 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 25035690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).