[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate

C23H18N2O4S — CID 30819143

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N2O4S/c1-14(21(26)18-13-24-19-9-3-2-8-17(18)19)29-23(28)15-6-4-7-16(12-15)25-22(27)20-10-5-11-30-20/h2-14,24H,1H3,(H,25,27)/t14-/m1/s1
InChIKeySNMLBOZQFSKAGN-CQSZACIVSA-N
MW418.47 g/mol
LogP4.91
Rot. Bonds6

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 30819143) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID30819143
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N2O4S/c1-14(21(26)18-13-24-19-9-3-2-8-17(18)19)29-23(28)15-6-4-7-16(12-15)25-22(27)20-10-5-11-30-20/h2-14,24H,1H3,(H,25,27)/t14-/m1/s1
InChIKeySNMLBOZQFSKAGN-CQSZACIVSA-N
XLogP4.91
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate with MolForge

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631199
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888808
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 55380108
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909697
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 40985004
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387014
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate (CID 30819143) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate is C[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is SNMLBOZQFSKAGN-CQSZACIVSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-14(21(26)18-13-24-19-9-3-2-8-17(18)19)29-23(28)15-6-4-7-16(12-15)25-22(27)20-10-5-11-30-20/h2-14,24H,1H3,(H,25,27)/t14-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 418.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 30819143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).