3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide

C23H26FN3O4S — CID 16735979

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(OCc4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C23H26FN3O4S/c1-2-32(29,30)27-9-7-16(8-10-27)21-13-26-22-19(21)11-18(12-20(22)23(25)28)31-14-15-3-5-17(24)6-4-15/h3-6,11-13,16,26H,2,7-10,14H2,1H3,(H2,25,28)
InChIKeyUNZHXQPYAYUZLF-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.51
Rot. Bonds7

About 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide

3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide (PubChem CID 16735979) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide
PubChem CID16735979
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(OCc4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C23H26FN3O4S/c1-2-32(29,30)27-9-7-16(8-10-27)21-13-26-22-19(21)11-18(12-20(22)23(25)28)31-14-15-3-5-17(24)6-4-15/h3-6,11-13,16,26H,2,7-10,14H2,1H3,(H2,25,28)
InChIKeyUNZHXQPYAYUZLF-UHFFFAOYSA-N
XLogP3.51
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide (CID 16735979) is 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide is CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(OCc4ccc(F)cc4)cc23)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide?
The InChIKey is UNZHXQPYAYUZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-2-32(29,30)27-9-7-16(8-10-27)21-13-26-22-19(21)11-18(12-20(22)23(25)28)31-14-15-3-5-17(24)6-4-15/h3-6,11-13,16,26H,2,7-10,14H2,1H3,(H2,25,28).
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide?
3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide has a molecular weight of 459.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-1H-indole-7-carboxamide is sourced from PubChem (CID 16735979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).