N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C17H23N3O5S — CID 7819474

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2C(=O)CCC2=O)c1
InChIInChI=1S/C17H23N3O5S/c1-4-19(5-2)26(24,25)13-7-6-12(3)14(10-13)18-15(21)11-20-16(22)8-9-17(20)23/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,21)
InChIKeyAQGZGNQTLQOFNF-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.11
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 7819474) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID7819474
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2C(=O)CCC2=O)c1
InChIInChI=1S/C17H23N3O5S/c1-4-19(5-2)26(24,25)13-7-6-12(3)14(10-13)18-15(21)11-20-16(22)8-9-17(20)23/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,21)
InChIKeyAQGZGNQTLQOFNF-UHFFFAOYSA-N
XLogP1.11
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 8904414
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 4999082
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
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24529074
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8827790
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methylthiourea
CID 8628352
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717506
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 24819945
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 7819474) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2C(=O)CCC2=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is AQGZGNQTLQOFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-4-19(5-2)26(24,25)13-7-6-12(3)14(10-13)18-15(21)11-20-16(22)8-9-17(20)23/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 381.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 7819474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).