N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C18H28N4O3S — CID 119617620

IUPACN-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C18H28N4O3S/c1-21(2)26(24,25)14-7-8-17(22-9-3-4-10-22)15(11-14)18(23)20-16(12-19)13-5-6-13/h7-8,11,13,16H,3-6,9-10,12,19H2,1-2H3,(H,20,23)
InChIKeyZRBAIKJDRZVLDD-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.00
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 119617620) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID119617620
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C18H28N4O3S/c1-21(2)26(24,25)14-7-8-17(22-9-3-4-10-22)15(11-14)18(23)20-16(12-19)13-5-6-13/h7-8,11,13,16H,3-6,9-10,12,19H2,1-2H3,(H,20,23)
InChIKeyZRBAIKJDRZVLDD-UHFFFAOYSA-N
XLogP1.00
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112762557
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119614141
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
CID 119429055

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 119617620) is N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ZRBAIKJDRZVLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-21(2)26(24,25)14-7-8-17(22-9-3-4-10-22)15(11-14)18(23)20-16(12-19)13-5-6-13/h7-8,11,13,16H,3-6,9-10,12,19H2,1-2H3,(H,20,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 119617620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).