N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide

C21H33N3O3S — CID 3484520

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H33N3O3S/c1-3-24(4-2)28(26,27)18-12-13-20(23-14-8-9-15-23)19(16-18)22-21(25)17-10-6-5-7-11-17/h12-13,16-17H,3-11,14-15H2,1-2H3,(H,22,25)
InChIKeyNLMZNGWOJMDPLO-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.84
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide (PubChem CID 3484520) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide
PubChem CID3484520
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H33N3O3S/c1-3-24(4-2)28(26,27)18-12-13-20(23-14-8-9-15-23)19(16-18)22-21(25)17-10-6-5-7-11-17/h12-13,16-17H,3-11,14-15H2,1-2H3,(H,22,25)
InChIKeyNLMZNGWOJMDPLO-UHFFFAOYSA-N
XLogP3.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide 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 N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide (CID 3484520) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide?
The InChIKey is NLMZNGWOJMDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-3-24(4-2)28(26,27)18-12-13-20(23-14-8-9-15-23)19(16-18)22-21(25)17-10-6-5-7-11-17/h12-13,16-17H,3-11,14-15H2,1-2H3,(H,22,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide has a molecular weight of 407.58 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 3484520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).