N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide

C15H18N2OS — CID 56825547

IUPACN-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNCc2ccsc2)cc1
InChIInChI=1S/C15H18N2OS/c1-12(18)17-15-4-2-13(3-5-15)6-8-16-10-14-7-9-19-11-14/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,17,18)
InChIKeyQBBBDWHOFPVGAT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide

N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide (PubChem CID 56825547) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
PubChem CID56825547
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNCc2ccsc2)cc1
InChIInChI=1S/C15H18N2OS/c1-12(18)17-15-4-2-13(3-5-15)6-8-16-10-14-7-9-19-11-14/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,17,18)
InChIKeyQBBBDWHOFPVGAT-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.04
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-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
tert-butyl N-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]carbamate
CID 107239520
methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate
CID 165487144
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
CID 155821876
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
N-phenyl-2-(thiophen-3-ylmethylamino)acetamide
CID 47271664

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide (CID 56825547) is N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNCc2ccsc2)cc1.
What is the InChIKey of N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide?
The InChIKey is QBBBDWHOFPVGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12(18)17-15-4-2-13(3-5-15)6-8-16-10-14-7-9-19-11-14/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,17,18).
What are the key properties of N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide?
N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide has a molecular weight of 274.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 56825547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).