5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C23H20F3N3O4S — CID 23218149

IUPAC5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CS(=O)(=O)c3ccncc3)cc1)CC2
InChIInChI=1S/C23H20F3N3O4S/c1-33-21-12-16-8-11-29(20(16)13-19(21)23(24,25)26)22(30)28-17-4-2-15(3-5-17)14-34(31,32)18-6-9-27-10-7-18/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,28,30)
InChIKeyMZVKNFICWQJORB-UHFFFAOYSA-N
MW491.49 g/mol
LogP4.68
Rot. Bonds5

About 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 23218149) has the molecular formula C23H20F3N3O4S and a molecular weight of 491.49 g/mol. Its IUPAC name is 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID23218149
Molecular FormulaC23H20F3N3O4S
Molecular Weight491.49 g/mol
Exact Mass491.11
IUPAC Name5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CS(=O)(=O)c3ccncc3)cc1)CC2
InChIInChI=1S/C23H20F3N3O4S/c1-33-21-12-16-8-11-29(20(16)13-19(21)23(24,25)26)22(30)28-17-4-2-15(3-5-17)14-34(31,32)18-6-9-27-10-7-18/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,28,30)
InChIKeyMZVKNFICWQJORB-UHFFFAOYSA-N
XLogP4.68
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 23218149) is 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CS(=O)(=O)c3ccncc3)cc1)CC2.
What is the InChIKey of 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is MZVKNFICWQJORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4S/c1-33-21-12-16-8-11-29(20(16)13-19(21)23(24,25)26)22(30)28-17-4-2-15(3-5-17)14-34(31,32)18-6-9-27-10-7-18/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,28,30).
What are the key properties of 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 491.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-(pyridin-4-ylsulfonylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 23218149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).