methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate

C23H24N2O8S — CID 1138763

IUPACmethyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate
SMILESCCOc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H24N2O8S/c1-4-31-20-14-18(25-34(28,29)16-10-8-15(9-11-16)23(27)30-3)21(32-5-2)13-17(20)24-22(26)19-7-6-12-33-19/h6-14,25H,4-5H2,1-3H3,(H,24,26)
InChIKeyPUUMIOOCLZPVRU-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.92
Rot. Bonds10

About methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate

methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate (PubChem CID 1138763) has the molecular formula C23H24N2O8S and a molecular weight of 488.52 g/mol. Its IUPAC name is methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate
PubChem CID1138763
Molecular FormulaC23H24N2O8S
Molecular Weight488.52 g/mol
Exact Mass488.13
IUPAC Namemethyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate
SMILESCCOc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H24N2O8S/c1-4-31-20-14-18(25-34(28,29)16-10-8-15(9-11-16)23(27)30-3)21(32-5-2)13-17(20)24-22(26)19-7-6-12-33-19/h6-14,25H,4-5H2,1-3H3,(H,24,26)
InChIKeyPUUMIOOCLZPVRU-UHFFFAOYSA-N
XLogP3.92
TPSA133.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1374341
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 169372341
N-[[5-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
CID 4603438
methyl 3-amino-4-(furan-2-carbonylamino)benzoate
CID 110481051
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate (CID 1138763) is methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate is CCOc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c(OCC)cc1NC(=O)c1ccco1.
What is the InChIKey of methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate?
The InChIKey is PUUMIOOCLZPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O8S/c1-4-31-20-14-18(25-34(28,29)16-10-8-15(9-11-16)23(27)30-3)21(32-5-2)13-17(20)24-22(26)19-7-6-12-33-19/h6-14,25H,4-5H2,1-3H3,(H,24,26).
What are the key properties of methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate?
methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate has a molecular weight of 488.52 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 1138763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).