N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

C17H17BrN2O2S — CID 78873467

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCCc3ccc(Br)s3)c2c1
InChIInChI=1S/C17H17BrN2O2S/c1-22-12-2-4-15-14(9-12)11(10-20-15)8-17(21)19-7-6-13-3-5-16(18)23-13/h2-5,9-10,20H,6-8H2,1H3,(H,19,21)
InChIKeyHOUYSKOVWBQONU-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.90
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 78873467) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID78873467
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCCc3ccc(Br)s3)c2c1
InChIInChI=1S/C17H17BrN2O2S/c1-22-12-2-4-15-14(9-12)11(10-20-15)8-17(21)19-7-6-13-3-5-16(18)23-13/h2-5,9-10,20H,6-8H2,1H3,(H,19,21)
InChIKeyHOUYSKOVWBQONU-UHFFFAOYSA-N
XLogP3.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 78873467) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)NCCc3ccc(Br)s3)c2c1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is HOUYSKOVWBQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-22-12-2-4-15-14(9-12)11(10-20-15)8-17(21)19-7-6-13-3-5-16(18)23-13/h2-5,9-10,20H,6-8H2,1H3,(H,19,21).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 393.31 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 78873467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).