2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide

C13H12BrNO2S2 — CID 25116776

IUPAC2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccsc1CO
InChIInChI=1S/C13H12BrNO2S2/c14-9-1-3-10(4-2-9)19-8-13(17)15-11-5-6-18-12(11)7-16/h1-6,16H,7-8H2,(H,15,17)
InChIKeyCXFFAAHSICLLBX-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide

2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide (PubChem CID 25116776) has the molecular formula C13H12BrNO2S2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide
PubChem CID25116776
Molecular FormulaC13H12BrNO2S2
Molecular Weight358.28 g/mol
Exact Mass356.95
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccsc1CO
InChIInChI=1S/C13H12BrNO2S2/c14-9-1-3-10(4-2-9)19-8-13(17)15-11-5-6-18-12(11)7-16/h1-6,16H,7-8H2,(H,15,17)
InChIKeyCXFFAAHSICLLBX-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide (CID 25116776) is 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide is O=C(CSc1ccc(Br)cc1)Nc1ccsc1CO.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
The InChIKey is CXFFAAHSICLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S2/c14-9-1-3-10(4-2-9)19-8-13(17)15-11-5-6-18-12(11)7-16/h1-6,16H,7-8H2,(H,15,17).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide has a molecular weight of 358.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide is sourced from PubChem (CID 25116776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).