[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

C24H22N2O5 — CID 7734307

IUPAC[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C24H22N2O5/c1-15-14-18-6-3-4-7-20(18)26(15)23(28)16(2)31-24(29)17-9-11-19(12-10-17)25-22(27)21-8-5-13-30-21/h3-13,15-16H,14H2,1-2H3,(H,25,27)/t15-,16-/m0/s1
InChIKeyZEYGOEUNXRIOLB-HOTGVXAUSA-N
MW418.45 g/mol
LogP4.05
Rot. Bonds5

About [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 7734307) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
PubChem CID7734307
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C24H22N2O5/c1-15-14-18-6-3-4-7-20(18)26(15)23(28)16(2)31-24(29)17-9-11-19(12-10-17)25-22(27)21-8-5-13-30-21/h3-13,15-16H,14H2,1-2H3,(H,25,27)/t15-,16-/m0/s1
InChIKeyZEYGOEUNXRIOLB-HOTGVXAUSA-N
XLogP4.05
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-methylbenzoate
CID 11919735
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 7871839
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842478
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018409
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8803911
N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
CID 2374481
N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7381891
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate
CID 39964004
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7986020
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477010

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (CID 7734307) is [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is C[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is ZEYGOEUNXRIOLB-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-15-14-18-6-3-4-7-20(18)26(15)23(28)16(2)31-24(29)17-9-11-19(12-10-17)25-22(27)21-8-5-13-30-21/h3-13,15-16H,14H2,1-2H3,(H,25,27)/t15-,16-/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 418.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7734307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).