2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

C17H26N4O4S — CID 4195515

IUPAC2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H26N4O4S/c1-13-5-6-15(11-16(13)26(24,25)19(3)4)18-17(23)12-20-7-9-21(10-8-20)14(2)22/h5-6,11H,7-10,12H2,1-4H3,(H,18,23)
InChIKeyQDFNXJLIVOVRNI-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.35
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 4195515) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID4195515
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H26N4O4S/c1-13-5-6-15(11-16(13)26(24,25)19(3)4)18-17(23)12-20-7-9-21(10-8-20)14(2)22/h5-6,11H,7-10,12H2,1-4H3,(H,18,23)
InChIKeyQDFNXJLIVOVRNI-UHFFFAOYSA-N
XLogP0.35
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-(3-Methyl-piperidin-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 3178246
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3576110
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4606555
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
N-[4-(Diethylamino)phenyl]-2-{4-[4-(propan-2-YL)benzenesulfonyl]piperazin-1-YL}acetamide
CID 16034807
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3916178
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 4793924
N,N-Diethyl-2-[(4-ethyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 10475401

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (CID 4195515) is 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is QDFNXJLIVOVRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-13-5-6-15(11-16(13)26(24,25)19(3)4)18-17(23)12-20-7-9-21(10-8-20)14(2)22/h5-6,11H,7-10,12H2,1-4H3,(H,18,23).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 0.35, 5 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-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 4195515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).