N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C24H29N3O5S — CID 20918786

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1OC
InChIInChI=1S/C24H29N3O5S/c1-31-22-8-5-18(15-23(22)32-2)9-11-25-24(28)17-26-14-10-19-16-20(6-7-21(19)26)33(29,30)27-12-3-4-13-27/h5-8,10,14-16H,3-4,9,11-13,17H2,1-2H3,(H,25,28)
InChIKeyCUQLJQKLCACXDX-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.80
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918786) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918786
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1OC
InChIInChI=1S/C24H29N3O5S/c1-31-22-8-5-18(15-23(22)32-2)9-11-25-24(28)17-26-14-10-19-16-20(6-7-21(19)26)33(29,30)27-12-3-4-13-27/h5-8,10,14-16H,3-4,9,11-13,17H2,1-2H3,(H,25,28)
InChIKeyCUQLJQKLCACXDX-UHFFFAOYSA-N
XLogP2.80
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918786) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is COc1ccc(CCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is CUQLJQKLCACXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-31-22-8-5-18(15-23(22)32-2)9-11-25-24(28)17-26-14-10-19-16-20(6-7-21(19)26)33(29,30)27-12-3-4-13-27/h5-8,10,14-16H,3-4,9,11-13,17H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).