2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C25H31N3O4S — CID 20918891

IUPAC2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C25H31N3O4S/c1-19(2)32-22-8-6-20(7-9-22)17-26-25(29)18-27-15-12-21-16-23(10-11-24(21)27)33(30,31)28-13-4-3-5-14-28/h6-12,15-16,19H,3-5,13-14,17-18H2,1-2H3,(H,26,29)
InChIKeySXZPJTUZPIVESM-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.92
Rot. Bonds8

About 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 20918891) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID20918891
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C25H31N3O4S/c1-19(2)32-22-8-6-20(7-9-22)17-26-25(29)18-27-15-12-21-16-23(10-11-24(21)27)33(30,31)28-13-4-3-5-14-28/h6-12,15-16,19H,3-5,13-14,17-18H2,1-2H3,(H,26,29)
InChIKeySXZPJTUZPIVESM-UHFFFAOYSA-N
XLogP3.92
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 24789970
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 20919118
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20919077
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46278542
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20918879
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
CID 20888287
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982
N-(2-methylpropyl)-2-(5-propan-2-yloxyindol-1-yl)acetamide
CID 116625821

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 20918891) is 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is SXZPJTUZPIVESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19(2)32-22-8-6-20(7-9-22)17-26-25(29)18-27-15-12-21-16-23(10-11-24(21)27)33(30,31)28-13-4-3-5-14-28/h6-12,15-16,19H,3-5,13-14,17-18H2,1-2H3,(H,26,29).
What are the key properties of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 20918891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).