2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C20H29N5O3S — CID 3238983

IUPAC2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(C)n1CCN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H29N5O3S/c1-16-3-4-17(2)25(16)14-13-23-9-11-24(12-10-23)15-20(26)22-18-5-7-19(8-6-18)29(21,27)28/h3-8H,9-15H2,1-2H3,(H,22,26)(H2,21,27,28)
InChIKeyFUZBSHNSPUZXJJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.01
Rot. Bonds7

About 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 3238983) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID3238983
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(C)n1CCN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H29N5O3S/c1-16-3-4-17(2)25(16)14-13-23-9-11-24(12-10-23)15-20(26)22-18-5-7-19(8-6-18)29(21,27)28/h3-8H,9-15H2,1-2H3,(H,22,26)(H2,21,27,28)
InChIKeyFUZBSHNSPUZXJJ-UHFFFAOYSA-N
XLogP1.01
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4833078
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide
CID 55648530
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439115
2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 140779018
3-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 30871597
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 3238983) is 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is FUZBSHNSPUZXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-16-3-4-17(2)25(16)14-13-23-9-11-24(12-10-23)15-20(26)22-18-5-7-19(8-6-18)29(21,27)28/h3-8H,9-15H2,1-2H3,(H,22,26)(H2,21,27,28).
What are the key properties of 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 3238983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).