5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide

C13H20N2O3S — CID 103946183

IUPAC5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-13(3,7-8-16)15-12(18)10-5-6-11(19-10)14-9(2)17/h5-6,16H,4,7-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyINPADDHHFSQJJK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.99
Rot. Bonds6

About 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide

5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide (PubChem CID 103946183) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
PubChem CID103946183
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-13(3,7-8-16)15-12(18)10-5-6-11(19-10)14-9(2)17/h5-6,16H,4,7-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyINPADDHHFSQJJK-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55081960
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110002144
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide (CID 103946183) is 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide is CCC(C)(CCO)NC(=O)c1ccc(NC(C)=O)s1.
What is the InChIKey of 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
The InChIKey is INPADDHHFSQJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-13(3,7-8-16)15-12(18)10-5-6-11(19-10)14-9(2)17/h5-6,16H,4,7-8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103946183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).