5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

C16H25N3O3S — CID 29198666

IUPAC5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C16H25N3O3S/c1-12(2)17-16(20)14-11-13(23(21,22)18(3)4)7-8-15(14)19-9-5-6-10-19/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyTVBIQBAYXMWEFU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.68
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (PubChem CID 29198666) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
PubChem CID29198666
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C16H25N3O3S/c1-12(2)17-16(20)14-11-13(23(21,22)18(3)4)7-8-15(14)19-9-5-6-10-19/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyTVBIQBAYXMWEFU-UHFFFAOYSA-N
XLogP1.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112762557
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 16563524
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (CID 29198666) is 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is CC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is TVBIQBAYXMWEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)17-16(20)14-11-13(23(21,22)18(3)4)7-8-15(14)19-9-5-6-10-19/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,20).
What are the key properties of 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 29198666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).