3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide

C11H16BrNO2S — CID 82951468

IUPAC3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCOCCN(C(=O)c1sccc1Br)C(C)C
InChIInChI=1S/C11H16BrNO2S/c1-8(2)13(5-6-15-3)11(14)10-9(12)4-7-16-10/h4,7-8H,5-6H2,1-3H3
InChIKeyPECPENXGXQENGJ-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.01
Rot. Bonds5

About 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide

3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 82951468) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID82951468
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCOCCN(C(=O)c1sccc1Br)C(C)C
InChIInChI=1S/C11H16BrNO2S/c1-8(2)13(5-6-15-3)11(14)10-9(12)4-7-16-10/h4,7-8H,5-6H2,1-3H3
InChIKeyPECPENXGXQENGJ-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60794133
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60775997
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
2-bromo-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951741
N-(3-amino-3-hydroxyiminopropyl)-3-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 77007089
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63797282
5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 82959594
3-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61244876
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 82951468) is 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide is COCCN(C(=O)c1sccc1Br)C(C)C.
What is the InChIKey of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is PECPENXGXQENGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-8(2)13(5-6-15-3)11(14)10-9(12)4-7-16-10/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 82951468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).