5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide

C14H16N2OS — CID 79605581

IUPAC5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-10(11-5-3-2-4-6-11)16-8-13-7-12(9-18-13)14(15)17/h2-7,9-10,16H,8H2,1H3,(H2,15,17)
InChIKeyJNOIGYVSLDBQEC-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.70
Rot. Bonds5

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

5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide (PubChem CID 79605581) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
PubChem CID79605581
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-10(11-5-3-2-4-6-11)16-8-13-7-12(9-18-13)14(15)17/h2-7,9-10,16H,8H2,1H3,(H2,15,17)
InChIKeyJNOIGYVSLDBQEC-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 81405327
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-phenylethylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide (CID 79605581) is 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide is CC(NCc1cc(C(N)=O)cs1)c1ccccc1.
What is the InChIKey of 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide?
The InChIKey is JNOIGYVSLDBQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(11-5-3-2-4-6-11)16-8-13-7-12(9-18-13)14(15)17/h2-7,9-10,16H,8H2,1H3,(H2,15,17).
What are the key properties of 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide?
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79605581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).