methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate

C23H23NO7S — CID 38830145

IUPACmethyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(N(Cc2cc(C)c(C(=O)OC)o2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO7S/c1-15-5-11-20(12-6-15)32(27,28)24(18-9-7-17(8-10-18)22(25)29-3)14-19-13-16(2)21(31-19)23(26)30-4/h5-13H,14H2,1-4H3
InChIKeyFXVZTDFHNOHLBF-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.87
Rot. Bonds7

About methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate

methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate (PubChem CID 38830145) has the molecular formula C23H23NO7S and a molecular weight of 457.50 g/mol. Its IUPAC name is methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate
PubChem CID38830145
Molecular FormulaC23H23NO7S
Molecular Weight457.50 g/mol
Exact Mass457.12
IUPAC Namemethyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(N(Cc2cc(C)c(C(=O)OC)o2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO7S/c1-15-5-11-20(12-6-15)32(27,28)24(18-9-7-17(8-10-18)22(25)29-3)14-19-13-16(2)21(31-19)23(26)30-4/h5-13H,14H2,1-4H3
InChIKeyFXVZTDFHNOHLBF-UHFFFAOYSA-N
XLogP3.87
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate
CID 38829000
methyl 3-[[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2227268
methyl 3-[[2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-4-methylbenzoate
CID 126414847
methyl 3-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-4-methylbenzoate
CID 1312734
methyl 3-[[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 1318300
methyl 4-[3-(4-chloro-N-(4-methylphenyl)sulfonylanilino)prop-1-ynyl]benzoate
CID 164677287
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742
methyl 2-[3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-2-oxopropyl]benzoate
CID 160873302
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate (CID 38830145) is methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate is COC(=O)c1ccc(N(Cc2cc(C)c(C(=O)OC)o2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate?
The InChIKey is FXVZTDFHNOHLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7S/c1-15-5-11-20(12-6-15)32(27,28)24(18-9-7-17(8-10-18)22(25)29-3)14-19-13-16(2)21(31-19)23(26)30-4/h5-13H,14H2,1-4H3.
What are the key properties of methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate?
methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate has a molecular weight of 457.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 38830145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).