N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

C21H17BrN2OS — CID 20907278

IUPACN-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cccc(Br)c1
InChIInChI=1S/C21H17BrN2OS/c22-17-7-3-5-15(11-17)13-23-21(25)14-24-18-8-2-1-6-16(18)12-19(24)20-9-4-10-26-20/h1-12H,13-14H2,(H,23,25)
InChIKeyHBDGMNNZACOWCJ-UHFFFAOYSA-N
MW425.35 g/mol
LogP5.45
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 20907278) has the molecular formula C21H17BrN2OS and a molecular weight of 425.35 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID20907278
Molecular FormulaC21H17BrN2OS
Molecular Weight425.35 g/mol
Exact Mass424.02
IUPAC NameN-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cccc(Br)c1
InChIInChI=1S/C21H17BrN2OS/c22-17-7-3-5-15(11-17)13-23-21(25)14-24-18-8-2-1-6-16(18)12-19(24)20-9-4-10-26-20/h1-12H,13-14H2,(H,23,25)
InChIKeyHBDGMNNZACOWCJ-UHFFFAOYSA-N
XLogP5.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.35
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (CID 20907278) is N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is HBDGMNNZACOWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2OS/c22-17-7-3-5-15(11-17)13-23-21(25)14-24-18-8-2-1-6-16(18)12-19(24)20-9-4-10-26-20/h1-12H,13-14H2,(H,23,25).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 425.35 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 20907278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).