N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide

C15H17NO2S — CID 107231462

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CO)cc2)sc1C
InChIInChI=1S/C15H17NO2S/c1-10-7-14(19-11(10)2)15(18)16-8-12-3-5-13(9-17)6-4-12/h3-7,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyNXWSMAQADZKKIZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.79
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide

N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 107231462) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID107231462
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CO)cc2)sc1C
InChIInChI=1S/C15H17NO2S/c1-10-7-14(19-11(10)2)15(18)16-8-12-3-5-13(9-17)6-4-12/h3-7,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyNXWSMAQADZKKIZ-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 60736885
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 76932895
N-[[3-(chloromethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113272815
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107232601
4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
CID 47235838
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide (CID 107231462) is N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccc(CO)cc2)sc1C.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is NXWSMAQADZKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-7-14(19-11(10)2)15(18)16-8-12-3-5-13(9-17)6-4-12/h3-7,17H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 107231462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).