N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide

C20H27N4O4S+ — CID 2493544

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-22(2)29(27,28)17-9-7-16(8-10-17)21-20(26)15-23-11-13-24(14-12-23)18-5-3-4-6-19(18)25/h3-10,25H,11-15H2,1-2H3,(H,21,26)/p+1
InChIKeyYHVGQZFKHNECPU-UHFFFAOYSA-O
MW419.53 g/mol
LogP-0.01
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2493544) has the molecular formula C20H27N4O4S+ and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2493544
Molecular FormulaC20H27N4O4S+
Molecular Weight419.53 g/mol
Exact Mass419.17
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-22(2)29(27,28)17-9-7-16(8-10-17)21-20(26)15-23-11-13-24(14-12-23)18-5-3-4-6-19(18)25/h3-10,25H,11-15H2,1-2H3,(H,21,26)/p+1
InChIKeyYHVGQZFKHNECPU-UHFFFAOYSA-O
XLogP-0.01
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4965988
N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide
CID 2998367
2-((5-Chloro-2-hydroxyphenyl)(methyl)amino)-N-(3-(morpholinosulfonyl)phe-nyl)acetamide (7b)
CID 126962122
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone
CID 2494882
4-Acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester
CID 2812557
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 3484885
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4378126
N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 4833255
[(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)-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-amino}-acetic acid
CID 11006065
[(2-Hydroxy-phenyl)-(2-{(2-hydroxy-phenyl)-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-acetic acid
CID 11071324
2-[2-hydroxy-N-[2-(2-hydroxy-N-[2-oxo-2-[2-(4-sulfamoylphenyl)hydrazinyl]ethyl]anilino)ethyl]anilino]acetic acid
CID 11071502

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 2493544) is N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is YHVGQZFKHNECPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N4O4S/c1-22(2)29(27,28)17-9-7-16(8-10-17)21-20(26)15-23-11-13-24(14-12-23)18-5-3-4-6-19(18)25/h3-10,25H,11-15H2,1-2H3,(H,21,26)/p+1.
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2493544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).