5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide

C13H18BrNO2S2 — CID 79930252

IUPAC5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cc(C)c(Br)s1)C1CCSC1
InChIInChI=1S/C13H18BrNO2S2/c1-9-7-11(19-12(9)14)13(16)15(4-5-17-2)10-3-6-18-8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyRIPNCYNVJNPXPC-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.41
Rot. Bonds5

About 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide

5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide (PubChem CID 79930252) has the molecular formula C13H18BrNO2S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
PubChem CID79930252
Molecular FormulaC13H18BrNO2S2
Molecular Weight364.33 g/mol
Exact Mass363.00
IUPAC Name5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cc(C)c(Br)s1)C1CCSC1
InChIInChI=1S/C13H18BrNO2S2/c1-9-7-11(19-12(9)14)13(16)15(4-5-17-2)10-3-6-18-8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyRIPNCYNVJNPXPC-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103883157
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 79924452
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 60955201
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103988564
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
2-bromo-6-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 114559503
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862
3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 79990331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide (CID 79930252) is 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide is COCCN(C(=O)c1cc(C)c(Br)s1)C1CCSC1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
The InChIKey is RIPNCYNVJNPXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S2/c1-9-7-11(19-12(9)14)13(16)15(4-5-17-2)10-3-6-18-8-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 79930252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).