[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

C18H15N5O4S — CID 8678039

IUPAC[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)Cn3nnc(-c4ccsc4)n3)cc21
InChIInChI=1S/C18H15N5O4S/c1-10-13-6-11(2-3-14(13)19-18(10)26)15(24)8-27-16(25)7-23-21-17(20-22-23)12-4-5-28-9-12/h2-6,9-10H,7-8H2,1H3,(H,19,26)/t10-/m1/s1
InChIKeyBTFAMUXNRZXRAQ-SNVBAGLBSA-N
MW397.42 g/mol
LogP1.88
Rot. Bonds6

About [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (PubChem CID 8678039) has the molecular formula C18H15N5O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
PubChem CID8678039
Molecular FormulaC18H15N5O4S
Molecular Weight397.42 g/mol
Exact Mass397.08
IUPAC Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)Cn3nnc(-c4ccsc4)n3)cc21
InChIInChI=1S/C18H15N5O4S/c1-10-13-6-11(2-3-14(13)19-18(10)26)15(24)8-27-16(25)7-23-21-17(20-22-23)12-4-5-28-9-12/h2-6,9-10H,7-8H2,1H3,(H,19,26)/t10-/m1/s1
InChIKeyBTFAMUXNRZXRAQ-SNVBAGLBSA-N
XLogP1.88
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (CID 8678039) is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.
What is the SMILES notation for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The canonical SMILES for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is C[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)Cn3nnc(-c4ccsc4)n3)cc21.
What is the InChIKey of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The InChIKey is BTFAMUXNRZXRAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15N5O4S/c1-10-13-6-11(2-3-14(13)19-18(10)26)15(24)8-27-16(25)7-23-21-17(20-22-23)12-4-5-28-9-12/h2-6,9-10H,7-8H2,1H3,(H,19,26)/t10-/m1/s1.
What are the key properties of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate has a molecular weight of 397.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8678039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).