4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one

C24H20N2O4S — CID 92584903

IUPAC4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21
InChIInChI=1S/C24H20N2O4S/c1-15-11-16-5-2-3-6-18(16)26(15)22(27)13-25-19-12-17(24(29)21-7-4-10-31-21)8-9-20(19)30-14-23(25)28/h2-10,12,15H,11,13-14H2,1H3/t15-/m1/s1
InChIKeyLDOXAHAXIZOCER-OAHLLOKOSA-N
MW432.50 g/mol
LogP3.68
Rot. Bonds4

About 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one

4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one (PubChem CID 92584903) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one
PubChem CID92584903
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21
InChIInChI=1S/C24H20N2O4S/c1-15-11-16-5-2-3-6-18(16)26(15)22(27)13-25-19-12-17(24(29)21-7-4-10-31-21)8-9-20(19)30-14-23(25)28/h2-10,12,15H,11,13-14H2,1H3/t15-/m1/s1
InChIKeyLDOXAHAXIZOCER-OAHLLOKOSA-N
XLogP3.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one with MolForge

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Related Compounds

2-[3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 46960507
6-butanoyl-2-methyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 84568575
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 46950722
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 4533666
2-[7-methyl-3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide
CID 46953239
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(5R)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 8659407
3'-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78539555
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012277

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one (CID 92584903) is 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one is C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21.
What is the InChIKey of 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one?
The InChIKey is LDOXAHAXIZOCER-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-15-11-16-5-2-3-6-18(16)26(15)22(27)13-25-19-12-17(24(29)21-7-4-10-31-21)8-9-20(19)30-14-23(25)28/h2-10,12,15H,11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one?
4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one has a molecular weight of 432.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 92584903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).