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

C12H11NO2S — CID 64792647

IUPACN-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cccs1
InChIInChI=1S/C12H11NO2S/c14-8-9-3-5-10(6-4-9)13-12(15)11-2-1-7-16-11/h1-7,14H,8H2,(H,13,15)
InChIKeyYZFKFRQSFVPOEQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.49
Rot. Bonds3

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

N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide (PubChem CID 64792647) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
PubChem CID64792647
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cccs1
InChIInChI=1S/C12H11NO2S/c14-8-9-3-5-10(6-4-9)13-12(15)11-2-1-7-16-11/h1-7,14H,8H2,(H,13,15)
InChIKeyYZFKFRQSFVPOEQ-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide (CID 64792647) is N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(CO)cc1)c1cccs1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is YZFKFRQSFVPOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-8-9-3-5-10(6-4-9)13-12(15)11-2-1-7-16-11/h1-7,14H,8H2,(H,13,15).
What are the key properties of N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 64792647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).