N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide

C20H22N2O3S — CID 2157580

IUPACN-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide
SMILESCCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C20H22N2O3S/c1-4-22-12-19(16-7-5-6-8-18(16)22)26(24,25)13-20(23)21-17-11-14(2)9-10-15(17)3/h5-12H,4,13H2,1-3H3,(H,21,23)
InChIKeyZHRVXEKEOMUAJO-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.69
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide

N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide (PubChem CID 2157580) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide
PubChem CID2157580
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide
SMILESCCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C20H22N2O3S/c1-4-22-12-19(16-7-5-6-8-18(16)22)26(24,25)13-20(23)21-17-11-14(2)9-10-15(17)3/h5-12H,4,13H2,1-3H3,(H,21,23)
InChIKeyZHRVXEKEOMUAJO-UHFFFAOYSA-N
XLogP3.69
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
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CID 11958319
3-(phenylsulfonyl)-1H-indole, 18a
CID 24861136
3-(phenylsulfonyl)-1H-indole, 18c
CID 24861188
3-(phenylsulfonyl)-1H-indole, 18d
CID 24861189
3-(phenylsulfonyl)-1H-indole, 18e
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3-(phenylsulfonyl)-1H-indole, 18f
CID 24861191

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide (CID 2157580) is N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide is CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)c2ccccc21.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
The InChIKey is ZHRVXEKEOMUAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-22-12-19(16-7-5-6-8-18(16)22)26(24,25)13-20(23)21-17-11-14(2)9-10-15(17)3/h5-12H,4,13H2,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide is sourced from PubChem (CID 2157580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).