N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide

C20H22N2O4S — CID 2157578

IUPACN-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide
SMILESCCOc1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-22-13-19(17-7-5-6-8-18(17)22)27(24,25)14-20(23)21-15-9-11-16(12-10-15)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyXBIGJEBMMQAYAN-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.47
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide

N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide (PubChem CID 2157578) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide
PubChem CID2157578
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide
SMILESCCOc1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-22-13-19(17-7-5-6-8-18(17)22)27(24,25)14-20(23)21-15-9-11-16(12-10-15)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyXBIGJEBMMQAYAN-UHFFFAOYSA-N
XLogP3.47
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]pentan-1-amine
CID 13938132
N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide
CID 2809950
N-[4-(pentyloxy)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide
CID 1964370
1-(methoxymethyl)-3-(4-methylbenzenesulfonyl)-5-(prop-2-en-1-yloxy)-1H-indole
CID 2324910
2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-methoxyphenyl)acetamide
CID 1040844
N-butyl-N-[3-[4-(2-tert-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10028882
2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10049017
N-butyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10323650
N-butyl-N-[3-[4-[(2-propan-2-yl-1H-indol-3-yl)sulfonyl]phenoxy]propyl]butan-1-amine
CID 10435455
N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10458050
N-butyl-N-[3-[4-(2-cyclohexylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 11756579
Dimethyl-{2-[3-(2-trifluoromethoxy-benzenesulfonyl)-indol-1-yl]-ethyl}-amine
CID 12147017

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide (CID 2157578) is N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide is CCOc1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
The InChIKey is XBIGJEBMMQAYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-22-13-19(17-7-5-6-8-18(17)22)27(24,25)14-20(23)21-15-9-11-16(12-10-15)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide?
N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide has a molecular weight of 386.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide is sourced from PubChem (CID 2157578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).