5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide

C19H31N3O3S — CID 51159074

IUPAC5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)16-9-10-18(21-11-7-8-12-21)17(13-16)19(23)20-14-15(3)4/h9-10,13,15H,5-8,11-12,14H2,1-4H3,(H,20,23)
InChIKeyMOSRQKLTHULEKL-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.70
Rot. Bonds8

About 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide

5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 51159074) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID51159074
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)16-9-10-18(21-11-7-8-12-21)17(13-16)19(23)20-14-15(3)4/h9-10,13,15H,5-8,11-12,14H2,1-4H3,(H,20,23)
InChIKeyMOSRQKLTHULEKL-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55993412
5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 55332364
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
5-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 78780901
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
CID 55591057
5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964117
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide (CID 51159074) is 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is MOSRQKLTHULEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)16-9-10-18(21-11-7-8-12-21)17(13-16)19(23)20-14-15(3)4/h9-10,13,15H,5-8,11-12,14H2,1-4H3,(H,20,23).
What are the key properties of 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 51159074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).