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

C12H18N2O3S — CID 79252074

IUPAC5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(CO)C(C)C)s1
InChIInChI=1S/C12H18N2O3S/c1-7(2)9(6-15)14-12(17)10-4-5-11(18-10)13-8(3)16/h4-5,7,9,15H,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyYSNNKRAFIAEINW-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.45
Rot. Bonds5

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

5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 79252074) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
PubChem CID79252074
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(CO)C(C)C)s1
InChIInChI=1S/C12H18N2O3S/c1-7(2)9(6-15)14-12(17)10-4-5-11(18-10)13-8(3)16/h4-5,7,9,15H,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyYSNNKRAFIAEINW-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 65036927
N-(1-hydroxy-3-methylbutan-2-yl)-5-nitrothiophene-2-carboxamide
CID 79253129
methyl 2-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylpentanoate
CID 43409333
(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63713883
4-[(5-acetamidothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064594
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55081960
5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
CID 103919192

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide (CID 79252074) is 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC(CO)C(C)C)s1.
What is the InChIKey of 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is YSNNKRAFIAEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7(2)9(6-15)14-12(17)10-4-5-11(18-10)13-8(3)16/h4-5,7,9,15H,6H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.45, 5 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-methylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 79252074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).