5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

C24H28N4O3S2 — CID 55990464

IUPAC5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C24H28N4O3S2/c1-3-28(4-2)33(30,31)20-10-11-22(27-13-5-6-14-27)21(17-20)23(29)26-19-9-7-8-18(16-19)24-25-12-15-32-24/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,26,29)
InChIKeyBCJFQOKAFMGLPF-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.69
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 55990464) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID55990464
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC Name5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C24H28N4O3S2/c1-3-28(4-2)33(30,31)20-10-11-22(27-13-5-6-14-27)21(17-20)23(29)26-19-9-7-8-18(16-19)24-25-12-15-32-24/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,26,29)
InChIKeyBCJFQOKAFMGLPF-UHFFFAOYSA-N
XLogP4.69
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811834
5-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 112764899
5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
CID 2540405
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzamide
CID 55961559
5-(diethylsulfamoyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 2463925
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (CID 55990464) is 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(-c3nccs3)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is BCJFQOKAFMGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-3-28(4-2)33(30,31)20-10-11-22(27-13-5-6-14-27)21(17-20)23(29)26-19-9-7-8-18(16-19)24-25-12-15-32-24/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,26,29).
What are the key properties of 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 484.65 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 55990464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).