3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide

C20H17N3O3S2 — CID 147308828

IUPAC3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(c1)C(NS(=O)(=O)c1ccccc1)=NC2
InChIInChI=1S/C20H17N3O3S2/c24-20(22-13-16-5-4-10-27-16)14-8-9-15-12-21-19(18(15)11-14)23-28(25,26)17-6-2-1-3-7-17/h1-11H,12-13H2,(H,21,23)(H,22,24)
InChIKeyCXNXHMAEYRPSFJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.92
Rot. Bonds5

About 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide

3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide (PubChem CID 147308828) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide
PubChem CID147308828
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(c1)C(NS(=O)(=O)c1ccccc1)=NC2
InChIInChI=1S/C20H17N3O3S2/c24-20(22-13-16-5-4-10-27-16)14-8-9-15-12-21-19(18(15)11-14)23-28(25,26)17-6-2-1-3-7-17/h1-11H,12-13H2,(H,21,23)(H,22,24)
InChIKeyCXNXHMAEYRPSFJ-UHFFFAOYSA-N
XLogP2.92
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-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

3-[(3-morpholin-4-ylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide
CID 152823581
3-[[4-(2-pyrrol-1-ylethylamino)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide
CID 158507304
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782557
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35864868
4-fluoro-N-[6-(3-thiophen-2-ylpropyl)-3H-isoindol-1-yl]benzamide;hydrochloride
CID 160830755
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 24537837
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide (CID 147308828) is 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide is O=C(NCc1cccs1)c1ccc2c(c1)C(NS(=O)(=O)c1ccccc1)=NC2.
What is the InChIKey of 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide?
The InChIKey is CXNXHMAEYRPSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c24-20(22-13-16-5-4-10-27-16)14-8-9-15-12-21-19(18(15)11-14)23-28(25,26)17-6-2-1-3-7-17/h1-11H,12-13H2,(H,21,23)(H,22,24).
What are the key properties of 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide?
3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide is sourced from PubChem (CID 147308828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).