5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide

C14H16N2O2S — CID 79614281

IUPAC5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1cccc(O)c1
InChIInChI=1S/C14H16N2O2S/c1-9(10-3-2-4-12(17)5-10)16-7-13-6-11(8-19-13)14(15)18/h2-6,8-9,16-17H,7H2,1H3,(H2,15,18)
InChIKeyAAEHUBHVNWRZOR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.40
Rot. Bonds5

About 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide

5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide (PubChem CID 79614281) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
PubChem CID79614281
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1cccc(O)c1
InChIInChI=1S/C14H16N2O2S/c1-9(10-3-2-4-12(17)5-10)16-7-13-6-11(8-19-13)14(15)18/h2-6,8-9,16-17H,7H2,1H3,(H2,15,18)
InChIKeyAAEHUBHVNWRZOR-UHFFFAOYSA-N
XLogP2.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613858
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613665
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide (CID 79614281) is 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide is CC(NCc1cc(C(N)=O)cs1)c1cccc(O)c1.
What is the InChIKey of 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The InChIKey is AAEHUBHVNWRZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(10-3-2-4-12(17)5-10)16-7-13-6-11(8-19-13)14(15)18/h2-6,8-9,16-17H,7H2,1H3,(H2,15,18).
What are the key properties of 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).