N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide

C16H25N3O2S — CID 111825521

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
SMILESCCCCCN(CCO)CC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-7-19(8-9-20)11-15(21)18-16-14(10-17)12(2)13(3)22-16/h20H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyMWJDIEBQQKLFKB-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.66
Rot. Bonds9

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide (PubChem CID 111825521) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
PubChem CID111825521
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
SMILESCCCCCN(CCO)CC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-7-19(8-9-20)11-15(21)18-16-14(10-17)12(2)13(3)22-16/h20H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyMWJDIEBQQKLFKB-UHFFFAOYSA-N
XLogP2.66
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
CID 4289593
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820896
2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28865616
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631857
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 78821213
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
CID 79812801
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide (CID 111825521) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide is CCCCCN(CCO)CC(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide?
The InChIKey is MWJDIEBQQKLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-5-6-7-19(8-9-20)11-15(21)18-16-14(10-17)12(2)13(3)22-16/h20H,4-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide is sourced from PubChem (CID 111825521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).