5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide

C12H16BrNO2S — CID 103800048

IUPAC5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
SMILESCOCCC1(CNC(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C12H16BrNO2S/c1-16-5-4-12(2-3-12)8-14-11(15)9-6-10(13)17-7-9/h6-7H,2-5,8H2,1H3,(H,14,15)
InChIKeyVAXTXZKNXRWULG-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.06
Rot. Bonds6

About 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide

5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide (PubChem CID 103800048) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
PubChem CID103800048
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
SMILESCOCCC1(CNC(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C12H16BrNO2S/c1-16-5-4-12(2-3-12)8-14-11(15)9-6-10(13)17-7-9/h6-7H,2-5,8H2,1H3,(H,14,15)
InChIKeyVAXTXZKNXRWULG-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
CID 103737497
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 103800012
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 102978738
4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 103799996
5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
CID 106244834
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 103804726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide (CID 103800048) is 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide is COCCC1(CNC(=O)c2csc(Br)c2)CC1.
What is the InChIKey of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
The InChIKey is VAXTXZKNXRWULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-16-5-4-12(2-3-12)8-14-11(15)9-6-10(13)17-7-9/h6-7H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 103800048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).