N-[2-(benzylamino)ethyl]thiophene-2-carboxamide

C14H16N2OS — CID 47148638

IUPACN-[2-(benzylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNCc1ccccc1)c1cccs1
InChIInChI=1S/C14H16N2OS/c17-14(13-7-4-10-18-13)16-9-8-15-11-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,16,17)
InChIKeyWLUMMMHDAHCYNG-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(benzylamino)ethyl]thiophene-2-carboxamide

N-[2-(benzylamino)ethyl]thiophene-2-carboxamide (PubChem CID 47148638) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(benzylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)ethyl]thiophene-2-carboxamide
PubChem CID47148638
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[2-(benzylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNCc1ccccc1)c1cccs1
InChIInChI=1S/C14H16N2OS/c17-14(13-7-4-10-18-13)16-9-8-15-11-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,16,17)
InChIKeyWLUMMMHDAHCYNG-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzylthiophene-2-carboxamide
CID 574227
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 99795253
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)ethyl]thiophene-2-carboxamide (CID 47148638) is N-[2-(benzylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)ethyl]thiophene-2-carboxamide is O=C(NCCNCc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(benzylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is WLUMMMHDAHCYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(13-7-4-10-18-13)16-9-8-15-11-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,16,17).
What are the key properties of N-[2-(benzylamino)ethyl]thiophene-2-carboxamide?
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47148638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).