3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide

C18H29N3O3S — CID 119511111

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C18H29N3O3S/c1-3-21(4-2)25(23,24)17-10-7-15(8-11-17)9-12-18(22)20-14-16-6-5-13-19-16/h7-8,10-11,16,19H,3-6,9,12-14H2,1-2H3,(H,20,22)
InChIKeyIAWZFIPBZXYPQS-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.52
Rot. Bonds9

About 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119511111) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119511111
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C18H29N3O3S/c1-3-21(4-2)25(23,24)17-10-7-15(8-11-17)9-12-18(22)20-14-16-6-5-13-19-16/h7-8,10-11,16,19H,3-6,9,12-14H2,1-2H3,(H,20,22)
InChIKeyIAWZFIPBZXYPQS-UHFFFAOYSA-N
XLogP1.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119475644
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119601816

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119511111) is 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC2CCCN2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is IAWZFIPBZXYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-3-21(4-2)25(23,24)17-10-7-15(8-11-17)9-12-18(22)20-14-16-6-5-13-19-16/h7-8,10-11,16,19H,3-6,9,12-14H2,1-2H3,(H,20,22).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 367.52 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119511111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).