3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

C13H18BrNO2S — CID 60794133

IUPAC3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1sccc1Br)C(C)C1CC1
InChIInChI=1S/C13H18BrNO2S/c1-9(10-3-4-10)15(6-7-17-2)13(16)12-11(14)5-8-18-12/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyBPTZRHJOEYPQID-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.40
Rot. Bonds6

About 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 60794133) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID60794133
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1sccc1Br)C(C)C1CC1
InChIInChI=1S/C13H18BrNO2S/c1-9(10-3-4-10)15(6-7-17-2)13(16)12-11(14)5-8-18-12/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyBPTZRHJOEYPQID-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889771
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 60793269
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 62816823
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696934
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
N-(1-cyclopropylethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 115645950

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 60794133) is 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(C(=O)c1sccc1Br)C(C)C1CC1.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is BPTZRHJOEYPQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-9(10-3-4-10)15(6-7-17-2)13(16)12-11(14)5-8-18-12/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 332.26 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60794133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).