2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C15H15BrN2O2S2 — CID 36988394

IUPAC2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CSc1ccccc1Br)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H15BrN2O2S2/c16-12-5-1-2-6-13(12)22-10-14(19)18-15(20)17-8-7-11-4-3-9-21-11/h1-6,9H,7-8,10H2,(H2,17,18,19,20)
InChIKeyARFOJMCFCOKAHE-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.67
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 36988394) has the molecular formula C15H15BrN2O2S2 and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID36988394
Molecular FormulaC15H15BrN2O2S2
Molecular Weight399.34 g/mol
Exact Mass397.98
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CSc1ccccc1Br)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H15BrN2O2S2/c16-12-5-1-2-6-13(12)22-10-14(19)18-15(20)17-8-7-11-4-3-9-21-11/h1-6,9H,7-8,10H2,(H2,17,18,19,20)
InChIKeyARFOJMCFCOKAHE-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 36988394) is 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is O=C(CSc1ccccc1Br)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is ARFOJMCFCOKAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S2/c16-12-5-1-2-6-13(12)22-10-14(19)18-15(20)17-8-7-11-4-3-9-21-11/h1-6,9H,7-8,10H2,(H2,17,18,19,20).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 399.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 36988394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).