N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C21H23ClN4O5S — CID 55787135

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)C(=O)C1=O
InChIInChI=1S/C21H23ClN4O5S/c1-3-25-10-11-26(21(29)20(25)28)13-19(27)23-15-9-8-14(2)18(12-15)32(30,31)24-17-7-5-4-6-16(17)22/h4-9,12,24H,3,10-11,13H2,1-2H3,(H,23,27)
InChIKeyRHUXSVIOAFRYTE-UHFFFAOYSA-N
MW478.96 g/mol
LogP2.08
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 55787135) has the molecular formula C21H23ClN4O5S and a molecular weight of 478.96 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID55787135
Molecular FormulaC21H23ClN4O5S
Molecular Weight478.96 g/mol
Exact Mass478.11
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)C(=O)C1=O
InChIInChI=1S/C21H23ClN4O5S/c1-3-25-10-11-26(21(29)20(25)28)13-19(27)23-15-9-8-14(2)18(12-15)32(30,31)24-17-7-5-4-6-16(17)22/h4-9,12,24H,3,10-11,13H2,1-2H3,(H,23,27)
InChIKeyRHUXSVIOAFRYTE-UHFFFAOYSA-N
XLogP2.08
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 52.08
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

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489260
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
CID 38019848
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39898875
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 5179877
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
CID 26761049
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55787078
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 55787135) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)C(=O)C1=O.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is RHUXSVIOAFRYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O5S/c1-3-25-10-11-26(21(29)20(25)28)13-19(27)23-15-9-8-14(2)18(12-15)32(30,31)24-17-7-5-4-6-16(17)22/h4-9,12,24H,3,10-11,13H2,1-2H3,(H,23,27).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 478.96 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 55787135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).