1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C19H20N4O3S2 — CID 6622426

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C19H20N4O3S2/c24-19(20-12-11-14-6-2-1-3-7-14)16-9-5-13-23(16)28(25,26)17-10-4-8-15-18(17)22-27-21-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,20,24)
InChIKeyXWDKYNWGVAVZQB-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.20
Rot. Bonds6

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 6622426) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID6622426
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C19H20N4O3S2/c24-19(20-12-11-14-6-2-1-3-7-14)16-9-5-13-23(16)28(25,26)17-10-4-8-15-18(17)22-27-21-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,20,24)
InChIKeyXWDKYNWGVAVZQB-UHFFFAOYSA-N
XLogP2.20
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide 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

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 20862287
(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 95042313
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6921969
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpyrrolidine-2-carboxamide
CID 20862233
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 20862264
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chlorophenyl)pyrrolidine-2-carboxamide
CID 20862295
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidine-2-carboxamide
CID 124718845
(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 92665070
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 20862294
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036389
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92665087

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 6622426) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide is O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is XWDKYNWGVAVZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c24-19(20-12-11-14-6-2-1-3-7-14)16-9-5-13-23(16)28(25,26)17-10-4-8-15-18(17)22-27-21-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,20,24).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 6622426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).