N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid

C28H30F3N3O5S — CID 68769854

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4ccccc4c3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H29N3O3S.C2HF3O2/c1-27-15-13-21(14-16-27)28(2)26(30)24-18-29(25-10-6-5-9-23(24)25)33(31,32)22-12-11-19-7-3-4-8-20(19)17-22;3-2(4,5)1(6)7/h3-12,17,21,24H,13-16,18H2,1-2H3;(H,6,7)
InChIKeyKWDLHWPLBWYQID-UHFFFAOYSA-N
MW577.63 g/mol
LogP4.32
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68769854) has the molecular formula C28H30F3N3O5S and a molecular weight of 577.63 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68769854
Molecular FormulaC28H30F3N3O5S
Molecular Weight577.63 g/mol
Exact Mass577.19
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4ccccc4c3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H29N3O3S.C2HF3O2/c1-27-15-13-21(14-16-27)28(2)26(30)24-18-29(25-10-6-5-9-23(24)25)33(31,32)22-12-11-19-7-3-4-8-20(19)17-22;3-2(4,5)1(6)7/h3-12,17,21,24H,13-16,18H2,1-2H3;(H,6,7)
InChIKeyKWDLHWPLBWYQID-UHFFFAOYSA-N
XLogP4.32
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.63
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 68769854) is N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid is CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4ccccc4c3)c3ccccc32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KWDLHWPLBWYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S.C2HF3O2/c1-27-15-13-21(14-16-27)28(2)26(30)24-18-29(25-10-6-5-9-23(24)25)33(31,32)22-12-11-19-7-3-4-8-20(19)17-22;3-2(4,5)1(6)7/h3-12,17,21,24H,13-16,18H2,1-2H3;(H,6,7).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 577.63 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68769854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).