4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide

C10H9BrN2O4S — CID 121022618

IUPAC4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1C(=O)COC1=O)c1cc(Br)cs1
InChIInChI=1S/C10H9BrN2O4S/c11-6-3-7(18-5-6)9(15)12-1-2-13-8(14)4-17-10(13)16/h3,5H,1-2,4H2,(H,12,15)
InChIKeyXAVWJDTUVIRAPU-UHFFFAOYSA-N
MW333.16 g/mol
LogP1.22
Rot. Bonds4

About 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide

4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 121022618) has the molecular formula C10H9BrN2O4S and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID121022618
Molecular FormulaC10H9BrN2O4S
Molecular Weight333.16 g/mol
Exact Mass331.95
IUPAC Name4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1C(=O)COC1=O)c1cc(Br)cs1
InChIInChI=1S/C10H9BrN2O4S/c11-6-3-7(18-5-6)9(15)12-1-2-13-8(14)4-17-10(13)16/h3,5H,1-2,4H2,(H,12,15)
InChIKeyXAVWJDTUVIRAPU-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide (CID 121022618) is 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide is O=C(NCCN1C(=O)COC1=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is XAVWJDTUVIRAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4S/c11-6-3-7(18-5-6)9(15)12-1-2-13-8(14)4-17-10(13)16/h3,5H,1-2,4H2,(H,12,15).
What are the key properties of 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide?
4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 333.16 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 121022618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).