N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide

C24H27N3O7S — CID 24891970

IUPACN-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC
InChIInChI=1S/C24H27N3O7S/c1-32-20-8-7-17(13-21(20)33-2)25-23(28)16-35(30,31)22-14-27(19-6-4-3-5-18(19)22)15-24(29)26-9-11-34-12-10-26/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,28)
InChIKeySUZNOZYSZYQFKE-UHFFFAOYSA-N
MW501.56 g/mol
LogP1.93
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide

N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide (PubChem CID 24891970) has the molecular formula C24H27N3O7S and a molecular weight of 501.56 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
PubChem CID24891970
Molecular FormulaC24H27N3O7S
Molecular Weight501.56 g/mol
Exact Mass501.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC
InChIInChI=1S/C24H27N3O7S/c1-32-20-8-7-17(13-21(20)33-2)25-23(28)16-35(30,31)22-14-27(19-6-4-3-5-18(19)22)15-24(29)26-9-11-34-12-10-26/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,28)
InChIKeySUZNOZYSZYQFKE-UHFFFAOYSA-N
XLogP1.93
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide (CID 24891970) is N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide is COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide?
The InChIKey is SUZNOZYSZYQFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7S/c1-32-20-8-7-17(13-21(20)33-2)25-23(28)16-35(30,31)22-14-27(19-6-4-3-5-18(19)22)15-24(29)26-9-11-34-12-10-26/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide?
N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide has a molecular weight of 501.56 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 24891970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).