N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide

C15H18N2OS — CID 66417096

IUPACN-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCc1ccsc1
InChIInChI=1S/C15H18N2OS/c1-12(18)17-15-5-3-2-4-14(15)10-16-8-6-13-7-9-19-11-13/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,17,18)
InChIKeyWURBEJBNCSHUQQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide

N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide (PubChem CID 66417096) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
PubChem CID66417096
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCc1ccsc1
InChIInChI=1S/C15H18N2OS/c1-12(18)17-15-5-3-2-4-14(15)10-16-8-6-13-7-9-19-11-13/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,17,18)
InChIKeyWURBEJBNCSHUQQ-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-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
CID 56825547
N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
CID 112606678
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide
CID 104694418
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
N-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetamide
CID 115474667
N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
CID 66385443

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide (CID 66417096) is N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCCc1ccsc1.
What is the InChIKey of N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide?
The InChIKey is WURBEJBNCSHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12(18)17-15-5-3-2-4-14(15)10-16-8-6-13-7-9-19-11-13/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,17,18).
What are the key properties of N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide?
N-[2-[(2-thiophen-3-ylethylamino)methyl]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-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66417096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).