methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate

C23H22N2O6S — CID 55612592

IUPACmethyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)oc1C
InChIInChI=1S/C23H22N2O6S/c1-15-20(23(27)30-2)13-18(31-15)14-24-22(26)17-7-5-8-19(12-17)32(28,29)25-11-10-16-6-3-4-9-21(16)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26)
InChIKeyVQSKIOMHBRCLGX-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.06
Rot. Bonds6

About methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 55612592) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID55612592
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Namemethyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)oc1C
InChIInChI=1S/C23H22N2O6S/c1-15-20(23(27)30-2)13-18(31-15)14-24-22(26)17-7-5-8-19(12-17)32(28,29)25-11-10-16-6-3-4-9-21(16)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26)
InChIKeyVQSKIOMHBRCLGX-UHFFFAOYSA-N
XLogP3.06
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731232
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
5-[[(3-ethylsulfonylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523931
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide
CID 55599190
methyl 5-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 110984907
methyl (2R)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-3-hydroxypropanoate
CID 9277502
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
2-methyl-5-[[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 122146239
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56577258
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 55612592) is methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)oc1C.
What is the InChIKey of methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is VQSKIOMHBRCLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-15-20(23(27)30-2)13-18(31-15)14-24-22(26)17-7-5-8-19(12-17)32(28,29)25-11-10-16-6-3-4-9-21(16)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26).
What are the key properties of methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 454.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 55612592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).