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

C23H22F3N3O3S — CID 143531456

IUPACN-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C23H22F3N3O3S/c1-15(30)28(2)18-4-6-19(7-5-18)33(31,32)29-14-21(16-9-11-27-12-10-16)20-13-17(23(24,25)26)3-8-22(20)29/h3-9,13-14,27H,10-12H2,1-2H3
InChIKeyICMDPHVBAZHQIN-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.26
Rot. Bonds4

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

N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide (PubChem CID 143531456) has the molecular formula C23H22F3N3O3S and a molecular weight of 477.51 g/mol. Its IUPAC name is N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide
PubChem CID143531456
Molecular FormulaC23H22F3N3O3S
Molecular Weight477.51 g/mol
Exact Mass477.13
IUPAC NameN-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C23H22F3N3O3S/c1-15(30)28(2)18-4-6-19(7-5-18)33(31,32)29-14-21(16-9-11-27-12-10-16)20-13-17(23(24,25)26)3-8-22(20)29/h3-9,13-14,27H,10-12H2,1-2H3
InChIKeyICMDPHVBAZHQIN-UHFFFAOYSA-N
XLogP4.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide (CID 143531456) is N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide is CC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is ICMDPHVBAZHQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3S/c1-15(30)28(2)18-4-6-19(7-5-18)33(31,32)29-14-21(16-9-11-27-12-10-16)20-13-17(23(24,25)26)3-8-22(20)29/h3-9,13-14,27H,10-12H2,1-2H3.
What are the key properties of N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide?
N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 477.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 143531456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).