2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide

C15H15N3OS — CID 2468190

IUPAC2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide
SMILESCN(CC(=O)Nc1sccc1C#N)Cc1ccccc1
InChIInChI=1S/C15H15N3OS/c1-18(10-12-5-3-2-4-6-12)11-14(19)17-15-13(9-16)7-8-20-15/h2-8H,10-11H2,1H3,(H,17,19)
InChIKeyCLPWZHHBXIAUOS-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.69
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide

2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 2468190) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID2468190
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide
SMILESCN(CC(=O)Nc1sccc1C#N)Cc1ccccc1
InChIInChI=1S/C15H15N3OS/c1-18(10-12-5-3-2-4-6-12)11-14(19)17-15-13(9-16)7-8-20-15/h2-8H,10-11H2,1H3,(H,17,19)
InChIKeyCLPWZHHBXIAUOS-UHFFFAOYSA-N
XLogP2.69
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide (CID 2468190) is 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide is CN(CC(=O)Nc1sccc1C#N)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is CLPWZHHBXIAUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(10-12-5-3-2-4-6-12)11-14(19)17-15-13(9-16)7-8-20-15/h2-8H,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide?
2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 2468190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).