5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide

C22H29N3O3S — CID 55811834

IUPAC5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C22H29N3O3S/c1-4-25(5-2)29(27,28)20-12-11-17(3)21(16-20)22(26)23-18-9-8-10-19(15-18)24-13-6-7-14-24/h8-12,15-16H,4-7,13-14H2,1-3H3,(H,23,26)
InChIKeyKBEIXWMNHJLIDL-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.88
Rot. Bonds7

About 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide

5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 55811834) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID55811834
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C22H29N3O3S/c1-4-25(5-2)29(27,28)20-12-11-17(3)21(16-20)22(26)23-18-9-8-10-19(15-18)24-13-6-7-14-24/h8-12,15-16H,4-7,13-14H2,1-3H3,(H,23,26)
InChIKeyKBEIXWMNHJLIDL-UHFFFAOYSA-N
XLogP3.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55990464
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43057860
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide (CID 55811834) is 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N3CCCC3)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is KBEIXWMNHJLIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-4-25(5-2)29(27,28)20-12-11-17(3)21(16-20)22(26)23-18-9-8-10-19(15-18)24-13-6-7-14-24/h8-12,15-16H,4-7,13-14H2,1-3H3,(H,23,26).
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 415.56 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 55811834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).