N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide

C20H18N2O4S2 — CID 16800260

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1
InChIInChI=1S/C20H18N2O4S2/c1-12(2)28(24,25)14-7-5-6-13(10-14)19(23)22-20-21-18-15-8-3-4-9-16(15)26-11-17(18)27-20/h3-10,12H,11H2,1-2H3,(H,21,22,23)
InChIKeyUNPZFTVLOQVNFS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.14
Rot. Bonds4

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide (PubChem CID 16800260) has the molecular formula C20H18N2O4S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
PubChem CID16800260
Molecular FormulaC20H18N2O4S2
Molecular Weight414.51 g/mol
Exact Mass414.07
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1
InChIInChI=1S/C20H18N2O4S2/c1-12(2)28(24,25)14-7-5-6-13(10-14)19(23)22-20-21-18-15-8-3-4-9-16(15)26-11-17(18)27-20/h3-10,12H,11H2,1-2H3,(H,21,22,23)
InChIKeyUNPZFTVLOQVNFS-UHFFFAOYSA-N
XLogP4.14
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide 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-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide (CID 16800260) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide?
The InChIKey is UNPZFTVLOQVNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2/c1-12(2)28(24,25)14-7-5-6-13(10-14)19(23)22-20-21-18-15-8-3-4-9-16(15)26-11-17(18)27-20/h3-10,12H,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide has a molecular weight of 414.51 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 16800260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).