2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

C19H30N4O4S — CID 8904414

IUPAC2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H30N4O4S/c1-5-23(6-2)28(26,27)17-8-7-15(3)18(13-17)20-19(25)14-21-9-11-22(12-10-21)16(4)24/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,25)
InChIKeyYKVUMFYNMXNRMS-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.13
Rot. Bonds7

About 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 8904414) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID8904414
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H30N4O4S/c1-5-23(6-2)28(26,27)17-8-7-15(3)18(13-17)20-19(25)14-21-9-11-22(12-10-21)16(4)24/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,25)
InChIKeyYKVUMFYNMXNRMS-UHFFFAOYSA-N
XLogP1.13
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7819474
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
ethyl 4-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 39975363
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 11931281
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methyl-5-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55698762
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 4999082

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (CID 8904414) is 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is YKVUMFYNMXNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-5-23(6-2)28(26,27)17-8-7-15(3)18(13-17)20-19(25)14-21-9-11-22(12-10-21)16(4)24/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,25).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 8904414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).