N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide

C24H24F3N3O3S — CID 59259320

IUPACN-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H24F3N3O3S/c1-16(31)29(3)19-5-7-20(8-6-19)34(32,33)30-15-22(17-10-12-28(2)13-11-17)21-14-18(24(25,26)27)4-9-23(21)30/h4-10,14-15H,11-13H2,1-3H3
InChIKeyWDNAREZGYXEJIG-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.60
Rot. Bonds4

About N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide

N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide (PubChem CID 59259320) has the molecular formula C24H24F3N3O3S and a molecular weight of 491.54 g/mol. Its IUPAC name is N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide
PubChem CID59259320
Molecular FormulaC24H24F3N3O3S
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC NameN-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H24F3N3O3S/c1-16(31)29(3)19-5-7-20(8-6-19)34(32,33)30-15-22(17-10-12-28(2)13-11-17)21-14-18(24(25,26)27)4-9-23(21)30/h4-10,14-15H,11-13H2,1-3H3
InChIKeyWDNAREZGYXEJIG-UHFFFAOYSA-N
XLogP4.60
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide (CID 59259320) is N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide is CC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is WDNAREZGYXEJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3S/c1-16(31)29(3)19-5-7-20(8-6-19)34(32,33)30-15-22(17-10-12-28(2)13-11-17)21-14-18(24(25,26)27)4-9-23(21)30/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 491.54 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 59259320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).