N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide

C20H20N4O4S2 — CID 146246355

IUPACN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(N(C)C(=O)C2COc3ccc(-c4ccccn4)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H20N4O4S2/c1-12-19(30(21,26)27)29-20(23-12)24(2)18(25)15-10-14-9-13(6-7-17(14)28-11-15)16-5-3-4-8-22-16/h3-9,15H,10-11H2,1-2H3,(H2,21,26,27)
InChIKeyNSGIOWJQCFJGRS-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.38
Rot. Bonds4

About N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide

N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 146246355) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID146246355
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(N(C)C(=O)C2COc3ccc(-c4ccccn4)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H20N4O4S2/c1-12-19(30(21,26)27)29-20(23-12)24(2)18(25)15-10-14-9-13(6-7-17(14)28-11-15)16-5-3-4-8-22-16/h3-9,15H,10-11H2,1-2H3,(H2,21,26,27)
InChIKeyNSGIOWJQCFJGRS-UHFFFAOYSA-N
XLogP2.38
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide 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-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide (CID 146246355) is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide is Cc1nc(N(C)C(=O)C2COc3ccc(-c4ccccn4)cc3C2)sc1S(N)(=O)=O.
What is the InChIKey of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NSGIOWJQCFJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-12-19(30(21,26)27)29-20(23-12)24(2)18(25)15-10-14-9-13(6-7-17(14)28-11-15)16-5-3-4-8-22-16/h3-9,15H,10-11H2,1-2H3,(H2,21,26,27).
What are the key properties of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 146246355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).