N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide

C14H15NO3S — CID 79465874

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C14H15NO3S/c1-18-12-6-13(19-9-12)14(17)15-7-10-3-2-4-11(5-10)8-16/h2-6,9,16H,7-8H2,1H3,(H,15,17)
InChIKeyJLUJFROZNPHRNK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.18
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 79465874) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
PubChem CID79465874
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C14H15NO3S/c1-18-12-6-13(19-9-12)14(17)15-7-10-3-2-4-11(5-10)8-16/h2-6,9,16H,7-8H2,1H3,(H,15,17)
InChIKeyJLUJFROZNPHRNK-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
N-[(4-carbamothioylphenyl)methyl]-4-methoxythiophene-2-carboxamide
CID 81122140
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 79589957
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide (CID 79465874) is N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCc2cccc(CO)c2)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is JLUJFROZNPHRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-12-6-13(19-9-12)14(17)15-7-10-3-2-4-11(5-10)8-16/h2-6,9,16H,7-8H2,1H3,(H,15,17).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 79465874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).