2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide

C19H20N2O4S — CID 2157574

IUPAC2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H20N2O4S/c1-3-21-12-18(16-6-4-5-7-17(16)21)26(23,24)13-19(22)20-14-8-10-15(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,20,22)
InChIKeyAHWPUQDPMWPVNW-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.08
Rot. Bonds6

About 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide

2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide (PubChem CID 2157574) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide
PubChem CID2157574
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H20N2O4S/c1-3-21-12-18(16-6-4-5-7-17(16)21)26(23,24)13-19(22)20-14-8-10-15(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,20,22)
InChIKeyAHWPUQDPMWPVNW-UHFFFAOYSA-N
XLogP3.08
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

MS-245
CID 6918542
Substituted phenylsulfonyltryptamine, 11i
CID 23655464
4-[3-(2-Diethylamino-ethyl)-5-methoxy-indole-1-sulfonyl]-phenylamine
CID 10250472
4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 11361090
4-[3-(2-Dimethylamino-ethyl)-5-methoxy-indole-1-sulfonyl]-phenylamine
CID 23844114
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-methylphenyl)sulfonyl-5-prop-2-enoxyindole
CID 2324910
2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 1040844
2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10049017
2-(1-Benzenesulfonyl-5-methoxy-1H-indol-3-yl)-ethylamine
CID 10131565
Dimethyl-{2-[3-(2-trifluoromethoxy-benzenesulfonyl)-indol-1-yl]-ethyl}-amine
CID 12147017

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide (CID 2157574) is 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide is CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is AHWPUQDPMWPVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-21-12-18(16-6-4-5-7-17(16)21)26(23,24)13-19(22)20-14-8-10-15(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide?
2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2157574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).