N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide

C24H29N3O5S — CID 20918886

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1OC
InChIInChI=1S/C24H29N3O5S/c1-31-22-8-6-7-19(24(22)32-2)16-25-23(28)17-26-14-11-18-15-20(9-10-21(18)26)33(29,30)27-12-4-3-5-13-27/h6-11,14-15H,3-5,12-13,16-17H2,1-2H3,(H,25,28)
InChIKeyDKMZNBHURXUKSK-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.15
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918886) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918886
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1OC
InChIInChI=1S/C24H29N3O5S/c1-31-22-8-6-7-19(24(22)32-2)16-25-23(28)17-26-14-11-18-15-20(9-10-21(18)26)33(29,30)27-12-4-3-5-13-27/h6-11,14-15H,3-5,12-13,16-17H2,1-2H3,(H,25,28)
InChIKeyDKMZNBHURXUKSK-UHFFFAOYSA-N
XLogP3.15
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918886) is N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide is COc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is DKMZNBHURXUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-31-22-8-6-7-19(24(22)32-2)16-25-23(28)17-26-14-11-18-15-20(9-10-21(18)26)33(29,30)27-12-4-3-5-13-27/h6-11,14-15H,3-5,12-13,16-17H2,1-2H3,(H,25,28).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).