N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide

C15H18N2OS — CID 62502320

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESNCCc1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H18N2OS/c16-8-7-12-3-5-13(6-4-12)11-17-15(18)10-14-2-1-9-19-14/h1-6,9H,7-8,10-11,16H2,(H,17,18)
InChIKeyNWUFNZKIUUXFKE-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.11
Rot. Bonds6

About N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide

N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 62502320) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
PubChem CID62502320
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESNCCc1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H18N2OS/c16-8-7-12-3-5-13(6-4-12)11-17-15(18)10-14-2-1-9-19-14/h1-6,9H,7-8,10-11,16H2,(H,17,18)
InChIKeyNWUFNZKIUUXFKE-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722829
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide
CID 108933744
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113
4-[[4-(2-aminoethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 153379116
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide (CID 62502320) is N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide is NCCc1ccc(CNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is NWUFNZKIUUXFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-8-7-12-3-5-13(6-4-12)11-17-15(18)10-14-2-1-9-19-14/h1-6,9H,7-8,10-11,16H2,(H,17,18).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 274.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 62502320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).