N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide

C21H24N2O5S — CID 2157601

IUPACN-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide
SMILESCCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C21H24N2O5S/c1-4-11-23-13-20(16-7-5-6-8-18(16)23)29(25,26)14-21(24)22-17-10-9-15(27-2)12-19(17)28-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,22,24)
InChIKeyFNALSBOLSPRKFR-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.48
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide

N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide (PubChem CID 2157601) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide
PubChem CID2157601
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide
SMILESCCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C21H24N2O5S/c1-4-11-23-13-20(16-7-5-6-8-18(16)23)29(25,26)14-21(24)22-17-10-9-15(27-2)12-19(17)28-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,22,24)
InChIKeyFNALSBOLSPRKFR-UHFFFAOYSA-N
XLogP3.48
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide (CID 2157601) is N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide is CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2OC)c2ccccc21.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide?
The InChIKey is FNALSBOLSPRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-4-11-23-13-20(16-7-5-6-8-18(16)23)29(25,26)14-21(24)22-17-10-9-15(27-2)12-19(17)28-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide?
N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide has a molecular weight of 416.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(1-propylindol-3-yl)sulfonylacetamide is sourced from PubChem (CID 2157601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).