2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide

C10H18N4O4S — CID 54877062

IUPAC2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O4S/c1-13(2)10(15)8-14(4-5-18-3)19(16,17)9-6-11-12-7-9/h6-7H,4-5,8H2,1-3H3,(H,11,12)
InChIKeyGYCMNBPQZIHLRT-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.87
Rot. Bonds7

About 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide

2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide (PubChem CID 54877062) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
PubChem CID54877062
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O4S/c1-13(2)10(15)8-14(4-5-18-3)19(16,17)9-6-11-12-7-9/h6-7H,4-5,8H2,1-3H3,(H,11,12)
InChIKeyGYCMNBPQZIHLRT-UHFFFAOYSA-N
XLogP-0.87
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide (CID 54877062) is 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
The InChIKey is GYCMNBPQZIHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-13(2)10(15)8-14(4-5-18-3)19(16,17)9-6-11-12-7-9/h6-7H,4-5,8H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide has a molecular weight of 290.35 g/mol, XLogP of -0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 54877062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).