N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C17H25N3O2S — CID 46996185

IUPACN-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCOCCN(Cc1sccc1C)C(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C17H25N3O2S/c1-12-6-9-23-16(12)10-19(7-8-22-5)17(21)11-20-15(4)13(2)14(3)18-20/h6,9H,7-8,10-11H2,1-5H3
InChIKeyPDYZAVKVKBLYAJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.85
Rot. Bonds7

About N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 46996185) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID46996185
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCOCCN(Cc1sccc1C)C(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C17H25N3O2S/c1-12-6-9-23-16(12)10-19(7-8-22-5)17(21)11-20-15(4)13(2)14(3)18-20/h6,9H,7-8,10-11H2,1-5H3
InChIKeyPDYZAVKVKBLYAJ-UHFFFAOYSA-N
XLogP2.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 70782852
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 61443783
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 50975572
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902165
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46995267
N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 50955298
1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126447689
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 42776528
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3549449
N-benzyl-2-[butylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4687290
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide
CID 4141373
3,5-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4118603

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 46996185) is N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is COCCN(Cc1sccc1C)C(=O)Cn1nc(C)c(C)c1C.
What is the InChIKey of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is PDYZAVKVKBLYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-6-9-23-16(12)10-19(7-8-22-5)17(21)11-20-15(4)13(2)14(3)18-20/h6,9H,7-8,10-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 46996185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).