2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C21H27N5O5S — CID 20970585

IUPAC2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H27N5O5S/c1-31-19-5-3-2-4-18(19)24-21(28)15-26-12-10-25(11-13-26)14-20(27)23-16-6-8-17(9-7-16)32(22,29)30/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28)(H2,22,29,30)
InChIKeyTWYRRJOXDYBHLN-UHFFFAOYSA-N
MW461.54 g/mol
LogP0.54
Rot. Bonds8

About 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 20970585) has the molecular formula C21H27N5O5S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID20970585
Molecular FormulaC21H27N5O5S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC Name2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H27N5O5S/c1-31-19-5-3-2-4-18(19)24-21(28)15-26-12-10-25(11-13-26)14-20(27)23-16-6-8-17(9-7-16)32(22,29)30/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28)(H2,22,29,30)
InChIKeyTWYRRJOXDYBHLN-UHFFFAOYSA-N
XLogP0.54
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3241108
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 3238983
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4833078
1-[2-(4-iodoanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680524
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 20970585) is 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is TWYRRJOXDYBHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S/c1-31-19-5-3-2-4-18(19)24-21(28)15-26-12-10-25(11-13-26)14-20(27)23-16-6-8-17(9-7-16)32(22,29)30/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28)(H2,22,29,30).
What are the key properties of 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 461.54 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 20970585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).