N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide

C23H26F3N3O4S — CID 46891112

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1
InChIInChI=1S/C23H26F3N3O4S/c1-27-13-11-16(12-14-27)28(2)22(30)20-15-29(21-6-4-3-5-19(20)21)34(31,32)18-9-7-17(8-10-18)33-23(24,25)26/h3-10,16,20H,11-15H2,1-2H3
InChIKeyPREJIFMOMIPRCX-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.43
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide (PubChem CID 46891112) has the molecular formula C23H26F3N3O4S and a molecular weight of 497.54 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
PubChem CID46891112
Molecular FormulaC23H26F3N3O4S
Molecular Weight497.54 g/mol
Exact Mass497.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1
InChIInChI=1S/C23H26F3N3O4S/c1-27-13-11-16(12-14-27)28(2)22(30)20-15-29(21-6-4-3-5-19(20)21)34(31,32)18-9-7-17(8-10-18)33-23(24,25)26/h3-10,16,20H,11-15H2,1-2H3
InChIKeyPREJIFMOMIPRCX-UHFFFAOYSA-N
XLogP3.43
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide (CID 46891112) is N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide is CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is PREJIFMOMIPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4S/c1-27-13-11-16(12-14-27)28(2)22(30)20-15-29(21-6-4-3-5-19(20)21)34(31,32)18-9-7-17(8-10-18)33-23(24,25)26/h3-10,16,20H,11-15H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 497.54 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 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-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 46891112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).