4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide

C12H11BrClNO2S2 — CID 91631015

IUPAC4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(Br)cs1)c1ccc(Cl)s1
InChIInChI=1S/C12H11BrClNO2S2/c1-17-8(9-2-3-11(14)19-9)5-15-12(16)10-4-7(13)6-18-10/h2-4,6,8H,5H2,1H3,(H,15,16)
InChIKeyCSXBJVJQISMCHB-UHFFFAOYSA-N
MW380.72 g/mol
LogP4.34
Rot. Bonds5

About 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide

4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide (PubChem CID 91631015) has the molecular formula C12H11BrClNO2S2 and a molecular weight of 380.72 g/mol. Its IUPAC name is 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide
PubChem CID91631015
Molecular FormulaC12H11BrClNO2S2
Molecular Weight380.72 g/mol
Exact Mass378.91
IUPAC Name4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(Br)cs1)c1ccc(Cl)s1
InChIInChI=1S/C12H11BrClNO2S2/c1-17-8(9-2-3-11(14)19-9)5-15-12(16)10-4-7(13)6-18-10/h2-4,6,8H,5H2,1H3,(H,15,16)
InChIKeyCSXBJVJQISMCHB-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.72
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide (CID 91631015) is 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide is COC(CNC(=O)c1cc(Br)cs1)c1ccc(Cl)s1.
What is the InChIKey of 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide?
The InChIKey is CSXBJVJQISMCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2S2/c1-17-8(9-2-3-11(14)19-9)5-15-12(16)10-4-7(13)6-18-10/h2-4,6,8H,5H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide?
4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide has a molecular weight of 380.72 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91631015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).