5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide

C15H16N2O3S — CID 107232601

IUPAC5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc(CO)cc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10(19)17-14-7-6-13(21-14)15(20)16-8-11-2-4-12(9-18)5-3-11/h2-7,18H,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyLSGJYJIJNIWKJK-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.13
Rot. Bonds5

About 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide

5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 107232601) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID107232601
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc(CO)cc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10(19)17-14-7-6-13(21-14)15(20)16-8-11-2-4-12(9-18)5-3-11/h2-7,18H,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyLSGJYJIJNIWKJK-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 24610904
5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
CID 103919192
5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 65036927
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850259
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-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55081960
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-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 24637076

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide (CID 107232601) is 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCc2ccc(CO)cc2)s1.
What is the InChIKey of 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LSGJYJIJNIWKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(19)17-14-7-6-13(21-14)15(20)16-8-11-2-4-12(9-18)5-3-11/h2-7,18H,8-9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide?
5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 107232601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).