N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide

C12H11NO2S — CID 47148514

IUPACN-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccsc1
InChIInChI=1S/C12H11NO2S/c14-11-3-1-9(2-4-11)7-13-12(15)10-5-6-16-8-10/h1-6,8,14H,7H2,(H,13,15)
InChIKeyINWNPCGMVFANAE-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.38
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide

N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide (PubChem CID 47148514) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
PubChem CID47148514
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccsc1
InChIInChI=1S/C12H11NO2S/c14-11-3-1-9(2-4-11)7-13-12(15)10-5-6-16-8-10/h1-6,8,14H,7H2,(H,13,15)
InChIKeyINWNPCGMVFANAE-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 51092014
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
CID 47161409
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide (CID 47148514) is N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide is O=C(NCc1ccc(O)cc1)c1ccsc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide?
The InChIKey is INWNPCGMVFANAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-11-3-1-9(2-4-11)7-13-12(15)10-5-6-16-8-10/h1-6,8,14H,7H2,(H,13,15).
What are the key properties of N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47148514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).