2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

C19H28N4O5S — CID 55791847

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCCN1CCN(CC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)C(=O)C1=O
InChIInChI=1S/C19H28N4O5S/c1-4-22-9-10-23(19(26)18(22)25)12-17(24)20-11-15-5-7-16(8-6-15)13-29(27,28)21-14(2)3/h5-8,14,21H,4,9-13H2,1-3H3,(H,20,24)
InChIKeyIDOWJOJRGILPHA-UHFFFAOYSA-N
MW424.52 g/mol
LogP-0.18
Rot. Bonds9

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 55791847) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID55791847
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCCN1CCN(CC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)C(=O)C1=O
InChIInChI=1S/C19H28N4O5S/c1-4-22-9-10-23(19(26)18(22)25)12-17(24)20-11-15-5-7-16(8-6-15)13-29(27,28)21-14(2)3/h5-8,14,21H,4,9-13H2,1-3H3,(H,20,24)
InChIKeyIDOWJOJRGILPHA-UHFFFAOYSA-N
XLogP-0.18
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 46492120
3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466203
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 17436142
1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 86869252
2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633590
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55929746
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53041860
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111262544
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110952456
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (CID 55791847) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is CCN1CCN(CC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is IDOWJOJRGILPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-4-22-9-10-23(19(26)18(22)25)12-17(24)20-11-15-5-7-16(8-6-15)13-29(27,28)21-14(2)3/h5-8,14,21H,4,9-13H2,1-3H3,(H,20,24).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 424.52 g/mol, XLogP of -0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55791847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).