5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide

C10H14BrNO2S — CID 47901542

IUPAC5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
SMILESCCOCC(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-14-5-7(2)12-10(13)8-4-9(11)15-6-8/h4,6-7H,3,5H2,1-2H3,(H,12,13)
InChIKeyWXCAFVIKUNILQT-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.67
Rot. Bonds5

About 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide

5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide (PubChem CID 47901542) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
PubChem CID47901542
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
SMILESCCOCC(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-14-5-7(2)12-10(13)8-4-9(11)15-6-8/h4,6-7H,3,5H2,1-2H3,(H,12,13)
InChIKeyWXCAFVIKUNILQT-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
CID 81448376
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide (CID 47901542) is 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide is CCOCC(C)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide?
The InChIKey is WXCAFVIKUNILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-14-5-7(2)12-10(13)8-4-9(11)15-6-8/h4,6-7H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 47901542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).