[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

C23H19NO4S — CID 18273200

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C23H19NO4S/c1-14-10-15-6-2-4-8-18(15)24(14)21(25)13-28-23(26)20-11-16-12-27-19-9-5-3-7-17(19)22(16)29-20/h2-9,11,14H,10,12-13H2,1H3
InChIKeyDDCMQTOMTJBGLF-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.44
Rot. Bonds3

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 18273200) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID18273200
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C23H19NO4S/c1-14-10-15-6-2-4-8-18(15)24(14)21(25)13-28-23(26)20-11-16-12-27-19-9-5-3-7-17(19)22(16)29-20/h2-9,11,14H,10,12-13H2,1H3
InChIKeyDDCMQTOMTJBGLF-UHFFFAOYSA-N
XLogP4.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate with MolForge

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Related Compounds

[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621400
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621393
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253191
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104061
[2-(tert-butylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253097
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 4533666
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41228103
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41188116
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621436
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512773
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (CID 18273200) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is CC1Cc2ccccc2N1C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is DDCMQTOMTJBGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-14-10-15-6-2-4-8-18(15)24(14)21(25)13-28-23(26)20-11-16-12-27-19-9-5-3-7-17(19)22(16)29-20/h2-9,11,14H,10,12-13H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 405.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 18273200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).