2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

C11H19N3O2S — CID 135104273

IUPAC2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCCSCC(=O)NC(COC)c1ccnn1C
InChIInChI=1S/C11H19N3O2S/c1-4-17-8-11(15)13-9(7-16-3)10-5-6-12-14(10)2/h5-6,9H,4,7-8H2,1-3H3,(H,13,15)
InChIKeyDCICRIYBUASSSH-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.98
Rot. Bonds7

About 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 135104273) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID135104273
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCCSCC(=O)NC(COC)c1ccnn1C
InChIInChI=1S/C11H19N3O2S/c1-4-17-8-11(15)13-9(7-16-3)10-5-6-12-14(10)2/h5-6,9H,4,7-8H2,1-3H3,(H,13,15)
InChIKeyDCICRIYBUASSSH-UHFFFAOYSA-N
XLogP0.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 126451107
2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 46999983
N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide
CID 46995765
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 135092129
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 125168181
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124755565
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70766147
2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 124850321
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 135088798
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (CID 135104273) is 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is CCSCC(=O)NC(COC)c1ccnn1C.
What is the InChIKey of 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is DCICRIYBUASSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-17-8-11(15)13-9(7-16-3)10-5-6-12-14(10)2/h5-6,9H,4,7-8H2,1-3H3,(H,13,15).
What are the key properties of 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 257.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 135104273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).