2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide

C16H20N2OS — CID 115286106

IUPAC2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)C(N)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-10-18(12-13-7-4-3-5-8-13)16(19)15(17)14-9-6-11-20-14/h3-9,11,15H,2,10,12,17H2,1H3
InChIKeyPOJZGQZPRYWBGD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.19
Rot. Bonds6

About 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide

2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide (PubChem CID 115286106) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
PubChem CID115286106
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)C(N)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-10-18(12-13-7-4-3-5-8-13)16(19)15(17)14-9-6-11-20-14/h3-9,11,15H,2,10,12,17H2,1H3
InChIKeyPOJZGQZPRYWBGD-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511
2-amino-N-[2-(dimethylamino)ethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 113279213
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate
CID 115286648
2-amino-N-(cyclopropylmethyl)-N-propyl-2-thiophen-2-ylacetamide
CID 115286111
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119342483
2-amino-N-ethyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 113279196
2-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286743
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115286709
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
CID 107471232
2-amino-N-[(4-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide (CID 115286106) is 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide is CCCN(Cc1ccccc1)C(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide?
The InChIKey is POJZGQZPRYWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-10-18(12-13-7-4-3-5-8-13)16(19)15(17)14-9-6-11-20-14/h3-9,11,15H,2,10,12,17H2,1H3.
What are the key properties of 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide?
2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide has a molecular weight of 288.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).