3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C16H22N4O4S — CID 55631775

IUPAC3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C(C)C)c1
InChIInChI=1S/C16H22N4O4S/c1-12(2)20-15(7-8-17-20)19-16(21)13-5-4-6-14(11-13)25(22,23)18-9-10-24-3/h4-8,11-12,18H,9-10H2,1-3H3,(H,19,21)
InChIKeyYCTCNTZFCDYQHT-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.64
Rot. Bonds8

About 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide

3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 55631775) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID55631775
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C(C)C)c1
InChIInChI=1S/C16H22N4O4S/c1-12(2)20-15(7-8-17-20)19-16(21)13-5-4-6-14(11-13)25(22,23)18-9-10-24-3/h4-8,11-12,18H,9-10H2,1-3H3,(H,19,21)
InChIKeyYCTCNTZFCDYQHT-UHFFFAOYSA-N
XLogP1.64
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186121
3-(diethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183038
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 134045498

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 55631775) is 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C(C)C)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is YCTCNTZFCDYQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-12(2)20-15(7-8-17-20)19-16(21)13-5-4-6-14(11-13)25(22,23)18-9-10-24-3/h4-8,11-12,18H,9-10H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 366.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55631775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).