N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide

C25H31N3O5S — CID 20918901

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-3-33-23-10-7-19(15-24(23)32-2)17-26-25(29)18-27-14-11-20-16-21(8-9-22(20)27)34(30,31)28-12-5-4-6-13-28/h7-11,14-16H,3-6,12-13,17-18H2,1-2H3,(H,26,29)
InChIKeyHAEBWTNWILHWNV-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.54
Rot. Bonds9

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918901) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918901
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-3-33-23-10-7-19(15-24(23)32-2)17-26-25(29)18-27-14-11-20-16-21(8-9-22(20)27)34(30,31)28-12-5-4-6-13-28/h7-11,14-16H,3-6,12-13,17-18H2,1-2H3,(H,26,29)
InChIKeyHAEBWTNWILHWNV-UHFFFAOYSA-N
XLogP3.54
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918901) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide is CCOc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is HAEBWTNWILHWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-3-33-23-10-7-19(15-24(23)32-2)17-26-25(29)18-27-14-11-20-16-21(8-9-22(20)27)34(30,31)28-12-5-4-6-13-28/h7-11,14-16H,3-6,12-13,17-18H2,1-2H3,(H,26,29).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 485.61 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).