5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

C23H27N3O3S — CID 11304835

IUPAC5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H27N3O3S/c1-15(2)30(28,29)26-10-8-17(9-11-26)21-14-25-22-19(21)12-18(13-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,12-15,17,25H,8-11H2,1-2H3,(H2,24,27)
InChIKeyOOGDWJHWYGKNPI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.85
Rot. Bonds5

About 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide (PubChem CID 11304835) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
PubChem CID11304835
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H27N3O3S/c1-15(2)30(28,29)26-10-8-17(9-11-26)21-14-25-22-19(21)12-18(13-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,12-15,17,25H,8-11H2,1-2H3,(H2,24,27)
InChIKeyOOGDWJHWYGKNPI-UHFFFAOYSA-N
XLogP3.85
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide (CID 11304835) is 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide is CC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The InChIKey is OOGDWJHWYGKNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-15(2)30(28,29)26-10-8-17(9-11-26)21-14-25-22-19(21)12-18(13-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,12-15,17,25H,8-11H2,1-2H3,(H2,24,27).
What are the key properties of 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 11304835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).