5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide

C11H16N2O3S — CID 65036927

IUPAC5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(C)CO)s1
InChIInChI=1S/C11H16N2O3S/c1-7(6-14)5-12-11(16)9-3-4-10(17-9)13-8(2)15/h3-4,7,14H,5-6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyURKIDNZRYKPENI-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.06
Rot. Bonds5

About 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide

5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide (PubChem CID 65036927) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
PubChem CID65036927
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(C)CO)s1
InChIInChI=1S/C11H16N2O3S/c1-7(6-14)5-12-11(16)9-3-4-10(17-9)13-8(2)15/h3-4,7,14H,5-6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyURKIDNZRYKPENI-UHFFFAOYSA-N
XLogP1.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-acetamidothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064594
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79252074
5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107232601
5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
CID 103919192
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
5-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 43572932
5-acetamido-N-[1-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 62525158
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55081960

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide (CID 65036927) is 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCC(C)CO)s1.
What is the InChIKey of 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is URKIDNZRYKPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(6-14)5-12-11(16)9-3-4-10(17-9)13-8(2)15/h3-4,7,14H,5-6H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 65036927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).