2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide

C19H19BrN2O4S — CID 52661626

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2c(C)c(Br)c3ccccc32)c1
InChIInChI=1S/C19H19BrN2O4S/c1-3-27(25,26)13-8-9-17(23)15(10-13)21-18(24)11-22-12(2)19(20)14-6-4-5-7-16(14)22/h4-10,23H,3,11H2,1-2H3,(H,21,24)
InChIKeyRAHDYQXBPFGFBU-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.85
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide

2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide (PubChem CID 52661626) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
PubChem CID52661626
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2c(C)c(Br)c3ccccc32)c1
InChIInChI=1S/C19H19BrN2O4S/c1-3-27(25,26)13-8-9-17(23)15(10-13)21-18(24)11-22-12(2)19(20)14-6-4-5-7-16(14)22/h4-10,23H,3,11H2,1-2H3,(H,21,24)
InChIKeyRAHDYQXBPFGFBU-UHFFFAOYSA-N
XLogP3.85
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 52714750
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 19517975
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 19551944
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 681601
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide
CID 55933821
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645
N-(5-chloro-2-hydroxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767959
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522376
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide (CID 52661626) is 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2c(C)c(Br)c3ccccc32)c1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The InChIKey is RAHDYQXBPFGFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c1-3-27(25,26)13-8-9-17(23)15(10-13)21-18(24)11-22-12(2)19(20)14-6-4-5-7-16(14)22/h4-10,23H,3,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide has a molecular weight of 451.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 52661626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).