[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C22H17ClN2O7S — CID 24557600

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)NC(=O)c1ccco1
InChIInChI=1S/C22H17ClN2O7S/c23-16-8-7-15(22(28)32-13-20(26)24-21(27)18-6-3-11-31-18)12-19(16)33(29,30)25-10-9-14-4-1-2-5-17(14)25/h1-8,11-12H,9-10,13H2,(H,24,26,27)
InChIKeyVRGFRJKYCHVYAZ-UHFFFAOYSA-N
MW488.91 g/mol
LogP2.80
Rot. Bonds6

About [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 24557600) has the molecular formula C22H17ClN2O7S and a molecular weight of 488.91 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID24557600
Molecular FormulaC22H17ClN2O7S
Molecular Weight488.91 g/mol
Exact Mass488.04
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)NC(=O)c1ccco1
InChIInChI=1S/C22H17ClN2O7S/c23-16-8-7-15(22(28)32-13-20(26)24-21(27)18-6-3-11-31-18)12-19(16)33(29,30)25-10-9-14-4-1-2-5-17(14)25/h1-8,11-12H,9-10,13H2,(H,24,26,27)
InChIKeyVRGFRJKYCHVYAZ-UHFFFAOYSA-N
XLogP2.80
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.91
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate 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

[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605213
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4855677
propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24530655
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23821134
(5-methyl-1,2-oxazol-3-yl)methyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 28575579
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23986899
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
[(2S)-1-amino-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605283
naphthalen-2-yl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4599470
[(2R)-3-oxobutan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 9274404
[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23906595
(2-amino-2-oxo-1-phenylethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 55498688

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 24557600) is [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)NC(=O)c1ccco1.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is VRGFRJKYCHVYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O7S/c23-16-8-7-15(22(28)32-13-20(26)24-21(27)18-6-3-11-31-18)12-19(16)33(29,30)25-10-9-14-4-1-2-5-17(14)25/h1-8,11-12H,9-10,13H2,(H,24,26,27).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 488.91 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 24557600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).