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

C23H24FN3O3S — CID 59259437

IUPACN-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H24FN3O3S/c1-16(28)26(3)19-5-7-20(8-6-19)31(29,30)27-15-22(17-10-12-25(2)13-11-17)21-14-18(24)4-9-23(21)27/h4-10,14-15H,11-13H2,1-3H3
InChIKeyXQVWRPDRFAZDTP-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.72
Rot. Bonds4

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

N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide (PubChem CID 59259437) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide
PubChem CID59259437
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC NameN-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H24FN3O3S/c1-16(28)26(3)19-5-7-20(8-6-19)31(29,30)27-15-22(17-10-12-25(2)13-11-17)21-14-18(24)4-9-23(21)27/h4-10,14-15H,11-13H2,1-3H3
InChIKeyXQVWRPDRFAZDTP-UHFFFAOYSA-N
XLogP3.72
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide?
The IUPAC name of N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide (CID 59259437) is N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cc1.
What is the InChIKey of N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide?
The InChIKey is XQVWRPDRFAZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-16(28)26(3)19-5-7-20(8-6-19)31(29,30)27-15-22(17-10-12-25(2)13-11-17)21-14-18(24)4-9-23(21)27/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide?
N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide has a molecular weight of 441.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]-N-methylacetamide is sourced from PubChem (CID 59259437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).