5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

C23H27N3O3S — CID 11453049

IUPAC5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
InChIKeyZJPQAWUONSYBKW-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.85
Rot. Bonds6

About 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide (PubChem CID 11453049) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
PubChem CID11453049
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
InChIKeyZJPQAWUONSYBKW-UHFFFAOYSA-N
XLogP3.85
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide (CID 11453049) is 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide is CCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The InChIKey is ZJPQAWUONSYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27).
What are the key properties of 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-propylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 11453049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).