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

C10H14BrNO2S — CID 64557581

IUPAC5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-10(2,6-13)12-9(14)7-4-8(11)15-5-7/h4-5,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyRBGSVCQYSXCPNM-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.40
Rot. Bonds4

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

5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 64557581) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID64557581
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-10(2,6-13)12-9(14)7-4-8(11)15-5-7/h4-5,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyRBGSVCQYSXCPNM-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966156
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
CID 61219456
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 115884352
5-bromo-N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]thiophene-3-carboxamide
CID 114021716
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide (CID 64557581) is 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide is CCC(C)(CO)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is RBGSVCQYSXCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-10(2,6-13)12-9(14)7-4-8(11)15-5-7/h4-5,13H,3,6H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 64557581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).