1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C23H32N4O3S — CID 110229566

IUPAC1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C23H32N4O3S/c1-5-26(6-2)22(28)23(12-14-27(18-23)31(29,30)25(3)4)16-19-9-7-10-20(15-19)21-11-8-13-24-17-21/h7-11,13,15,17H,5-6,12,14,16,18H2,1-4H3
InChIKeyPCKWNCVHVPDHQV-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.66
Rot. Bonds8

About 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110229566) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110229566
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C23H32N4O3S/c1-5-26(6-2)22(28)23(12-14-27(18-23)31(29,30)25(3)4)16-19-9-7-10-20(15-19)21-11-8-13-24-17-21/h7-11,13,15,17H,5-6,12,14,16,18H2,1-4H3
InChIKeyPCKWNCVHVPDHQV-UHFFFAOYSA-N
XLogP2.66
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110229566) is 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCN(CC)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is PCKWNCVHVPDHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-5-26(6-2)22(28)23(12-14-27(18-23)31(29,30)25(3)4)16-19-9-7-10-20(15-19)21-11-8-13-24-17-21/h7-11,13,15,17H,5-6,12,14,16,18H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).