N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C21H15BrN2O2S — CID 2203291

IUPACN-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C21H15BrN2O2S/c22-14-7-9-15(10-8-14)23-20(25)13-24-12-17(16-4-1-2-5-18(16)24)21(26)19-6-3-11-27-19/h1-12H,13H2,(H,23,25)
InChIKeyQORDCONPHNWLFO-UHFFFAOYSA-N
MW439.33 g/mol
LogP5.34
Rot. Bonds5

About N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 2203291) has the molecular formula C21H15BrN2O2S and a molecular weight of 439.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID2203291
Molecular FormulaC21H15BrN2O2S
Molecular Weight439.33 g/mol
Exact Mass438.00
IUPAC NameN-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C21H15BrN2O2S/c22-14-7-9-15(10-8-14)23-20(25)13-24-12-17(16-4-1-2-5-18(16)24)21(26)19-6-3-11-27-19/h1-12H,13H2,(H,23,25)
InChIKeyQORDCONPHNWLFO-UHFFFAOYSA-N
XLogP5.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.33
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 2203291) is N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is QORDCONPHNWLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O2S/c22-14-7-9-15(10-8-14)23-20(25)13-24-12-17(16-4-1-2-5-18(16)24)21(26)19-6-3-11-27-19/h1-12H,13H2,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 439.33 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 2203291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).