2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H28N4O4S — CID 4965988

IUPAC2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H28N4O4S/c27-20-7-5-19(6-8-20)25-15-13-24(14-16-25)17-22(28)23-18-3-9-21(10-4-18)31(29,30)26-11-1-2-12-26/h3-10,27H,1-2,11-17H2,(H,23,28)
InChIKeyCDRGKAWBFHOCBD-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4965988) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4965988
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H28N4O4S/c27-20-7-5-19(6-8-20)25-15-13-24(14-16-25)17-22(28)23-18-3-9-21(10-4-18)31(29,30)26-11-1-2-12-26/h3-10,27H,1-2,11-17H2,(H,23,28)
InChIKeyCDRGKAWBFHOCBD-UHFFFAOYSA-N
XLogP1.94
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide
CID 2998367
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 3973704
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4280225
[(2-Hydroxy-phenyl)-(2-{(2-hydroxy-phenyl)-[(2-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-acetic acid
CID 10864178
[(2-Hydroxy-phenyl)-(2-{(2-hydroxy-phenyl)-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-acetic acid
CID 11071324
[(2-Hydroxy-phenyl)-(2-{(2-hydroxy-phenyl)-[(3-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-acetic acid
CID 11103269
[{2-[[(2-Fluoro-4-sulfamoyl-phenylcarbamoyl)-methyl]-(2-hydroxy-phenyl)-amino]-ethyl}-(2-hydroxy-phenyl)-amino]-acetic acid
CID 11731156
[(2-Hydroxy-phenyl)-(2-{(2-hydroxy-phenyl)-[(2-iodo-4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-acetic acid
CID 11828379
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 16329177
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 3985140
N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947616
5-[4-(4-Hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 44825297

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4965988) is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is CDRGKAWBFHOCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c27-20-7-5-19(6-8-20)25-15-13-24(14-16-25)17-22(28)23-18-3-9-21(10-4-18)31(29,30)26-11-1-2-12-26/h3-10,27H,1-2,11-17H2,(H,23,28).
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 444.56 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4965988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).