2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C17H19N3OS — CID 8792545

IUPAC2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1ccccc1C#N
InChIInChI=1S/C17H19N3OS/c1-2-20(12-15-7-4-3-6-14(15)10-18)13-17(21)19-11-16-8-5-9-22-16/h3-9H,2,11-13H2,1H3,(H,19,21)
InChIKeyVMNQJCNPKGAWHP-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.76
Rot. Bonds7

About 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8792545) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8792545
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1ccccc1C#N
InChIInChI=1S/C17H19N3OS/c1-2-20(12-15-7-4-3-6-14(15)10-18)13-17(21)19-11-16-8-5-9-22-16/h3-9H,2,11-13H2,1H3,(H,19,21)
InChIKeyVMNQJCNPKGAWHP-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 17482828
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099
N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
ethyl 3-[[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylate
CID 8905653
2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 24565711
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8906157

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 8792545) is 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)Cc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VMNQJCNPKGAWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-20(12-15-7-4-3-6-14(15)10-18)13-17(21)19-11-16-8-5-9-22-16/h3-9H,2,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 313.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8792545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).