methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate

C24H24N2O7S — CID 24559476

IUPACmethyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)oc1C
InChIInChI=1S/C24H24N2O7S/c1-15-9-10-17(13-22(15)34(29,30)26-20-7-5-6-8-21(20)31-3)25-23(27)12-11-18-14-19(16(2)33-18)24(28)32-4/h5-14,26H,1-4H3,(H,25,27)/b12-11+
InChIKeyQBGRQAFZQSGAGM-VAWYXSNFSA-N
MW484.53 g/mol
LogP4.14
Rot. Bonds8

About methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate

methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate (PubChem CID 24559476) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
PubChem CID24559476
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Namemethyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)oc1C
InChIInChI=1S/C24H24N2O7S/c1-15-9-10-17(13-22(15)34(29,30)26-20-7-5-6-8-21(20)31-3)25-23(27)12-11-18-14-19(16(2)33-18)24(28)32-4/h5-14,26H,1-4H3,(H,25,27)/b12-11+
InChIKeyQBGRQAFZQSGAGM-VAWYXSNFSA-N
XLogP4.14
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
methyl 5-[(E)-3-(3-chloroanilino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24534717
3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 24642708
1-cyclopropyl-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 7942694
methyl 5-[(E)-3-(5-methoxycarbonyl-2-methylanilino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17414145
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 42992972
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate (CID 24559476) is methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)oc1C.
What is the InChIKey of methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate?
The InChIKey is QBGRQAFZQSGAGM-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-15-9-10-17(13-22(15)34(29,30)26-20-7-5-6-8-21(20)31-3)25-23(27)12-11-18-14-19(16(2)33-18)24(28)32-4/h5-14,26H,1-4H3,(H,25,27)/b12-11+.
What are the key properties of methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate?
methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate has a molecular weight of 484.53 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(E)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 24559476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).