phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate

C19H13NO3S — CID 145023813

IUPACphenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C(=O)[C@H](c2cccs2)c2ccccc21
InChIInChI=1S/C19H13NO3S/c21-18-17(16-11-6-12-24-16)14-9-4-5-10-15(14)20(18)19(22)23-13-7-2-1-3-8-13/h1-12,17H/t17-/m0/s1
InChIKeyZUCMLRVZVIIXQT-KRWDZBQOSA-N
MW335.38 g/mol
LogP4.43
Rot. Bonds2

About phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate

phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate (PubChem CID 145023813) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate.

Molecular Properties

Compound Namephenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate
PubChem CID145023813
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Namephenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C(=O)[C@H](c2cccs2)c2ccccc21
InChIInChI=1S/C19H13NO3S/c21-18-17(16-11-6-12-24-16)14-9-4-5-10-15(14)20(18)19(22)23-13-7-2-1-3-8-13/h1-12,17H/t17-/m0/s1
InChIKeyZUCMLRVZVIIXQT-KRWDZBQOSA-N
XLogP4.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate?
The IUPAC name of phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate (CID 145023813) is phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate.
What is the SMILES notation for phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate?
The canonical SMILES for phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate is O=C(Oc1ccccc1)N1C(=O)[C@H](c2cccs2)c2ccccc21.
What is the InChIKey of phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate?
The InChIKey is ZUCMLRVZVIIXQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H13NO3S/c21-18-17(16-11-6-12-24-16)14-9-4-5-10-15(14)20(18)19(22)23-13-7-2-1-3-8-13/h1-12,17H/t17-/m0/s1.
What are the key properties of phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate?
phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate has a molecular weight of 335.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate is sourced from PubChem (CID 145023813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).