N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide

C23H19F3N4O3S — CID 55712333

IUPACN-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCC(F)(F)F)nc1)c1cccs1
InChIInChI=1S/C23H19F3N4O3S/c24-23(25,26)13-33-20-8-7-15(12-28-20)29-21(31)18(30-22(32)19-6-3-9-34-19)10-14-11-27-17-5-2-1-4-16(14)17/h1-9,11-12,18,27H,10,13H2,(H,29,31)(H,30,32)
InChIKeyBIUGKTANUMDQKW-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.55
Rot. Bonds8

About N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide

N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 55712333) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide
PubChem CID55712333
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC NameN-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCC(F)(F)F)nc1)c1cccs1
InChIInChI=1S/C23H19F3N4O3S/c24-23(25,26)13-33-20-8-7-15(12-28-20)29-21(31)18(30-22(32)19-6-3-9-34-19)10-14-11-27-17-5-2-1-4-16(14)17/h1-9,11-12,18,27H,10,13H2,(H,29,31)(H,30,32)
InChIKeyBIUGKTANUMDQKW-UHFFFAOYSA-N
XLogP4.55
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide (CID 55712333) is N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCC(F)(F)F)nc1)c1cccs1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is BIUGKTANUMDQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c24-23(25,26)13-33-20-8-7-15(12-28-20)29-21(31)18(30-22(32)19-6-3-9-34-19)10-14-11-27-17-5-2-1-4-16(14)17/h1-9,11-12,18,27H,10,13H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide?
N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55712333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).