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

C22H15NO4S — CID 7253090

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H15NO4S/c24-18(16-10-23-17-7-3-1-5-14(16)17)12-27-22(25)20-9-13-11-26-19-8-4-2-6-15(19)21(13)28-20/h1-10,23H,11-12H2
InChIKeyFNLHAANKSCLRPQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.83
Rot. Bonds4

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

[2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 7253090) has the molecular formula C22H15NO4S and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID7253090
Molecular FormulaC22H15NO4S
Molecular Weight389.43 g/mol
Exact Mass389.07
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H15NO4S/c24-18(16-10-23-17-7-3-1-5-14(16)17)12-27-22(25)20-9-13-11-26-19-8-4-2-6-15(19)21(13)28-20/h1-10,23H,11-12H2
InChIKeyFNLHAANKSCLRPQ-UHFFFAOYSA-N
XLogP4.83
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253097
[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253215
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253197
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621393
(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 27910124
[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-(3-chloro-4-methylanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253201
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253169
9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253140
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18147272
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41188116

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (CID 7253090) is [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is FNLHAANKSCLRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4S/c24-18(16-10-23-17-7-3-1-5-14(16)17)12-27-22(25)20-9-13-11-26-19-8-4-2-6-15(19)21(13)28-20/h1-10,23H,11-12H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 7253090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).