2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

C22H26ClN5O4S — CID 55918502

IUPAC2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cc(Cl)ccc2-n2cccn2)c1
InChIInChI=1S/C22H26ClN5O4S/c1-4-27(5-2)33(30,31)17-8-10-21(32-3)19(14-17)26-22(29)15-24-18-13-16(23)7-9-20(18)28-12-6-11-25-28/h6-14,24H,4-5,15H2,1-3H3,(H,26,29)
InChIKeyFPBRQQHPHFVFLG-UHFFFAOYSA-N
MW492.00 g/mol
LogP3.62
Rot. Bonds10

About 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (PubChem CID 55918502) has the molecular formula C22H26ClN5O4S and a molecular weight of 492.00 g/mol. Its IUPAC name is 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
PubChem CID55918502
Molecular FormulaC22H26ClN5O4S
Molecular Weight492.00 g/mol
Exact Mass491.14
IUPAC Name2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cc(Cl)ccc2-n2cccn2)c1
InChIInChI=1S/C22H26ClN5O4S/c1-4-27(5-2)33(30,31)17-8-10-21(32-3)19(14-17)26-22(29)15-24-18-13-16(23)7-9-20(18)28-12-6-11-25-28/h6-14,24H,4-5,15H2,1-3H3,(H,26,29)
InChIKeyFPBRQQHPHFVFLG-UHFFFAOYSA-N
XLogP3.62
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 4793905
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
N-(2-acetylphenyl)-2-(5-chloro-2-pyrazol-1-ylanilino)acetamide
CID 55919271
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 25387721
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 17225707

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (CID 55918502) is 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cc(Cl)ccc2-n2cccn2)c1.
What is the InChIKey of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The InChIKey is FPBRQQHPHFVFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O4S/c1-4-27(5-2)33(30,31)17-8-10-21(32-3)19(14-17)26-22(29)15-24-18-13-16(23)7-9-20(18)28-12-6-11-25-28/h6-14,24H,4-5,15H2,1-3H3,(H,26,29).
What are the key properties of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide has a molecular weight of 492.00 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 55918502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).