3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide

C22H21N3O6S — CID 171549065

IUPAC3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Oc2ccc(C)nc2S(N)(=O)=O)c2oc(-c3cnoc3)c(C)c(=O)c2c1
InChIInChI=1S/C22H21N3O6S/c1-11-7-16(14(4)30-18-6-5-12(2)25-22(18)32(23,27)28)21-17(8-11)19(26)13(3)20(31-21)15-9-24-29-10-15/h5-10,14H,1-4H3,(H2,23,27,28)/t14-/m1/s1
InChIKeyNDEQQPDPXZJEBW-CQSZACIVSA-N
MW455.49 g/mol
LogP3.56
Rot. Bonds5

About 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide

3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide (PubChem CID 171549065) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide
PubChem CID171549065
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Oc2ccc(C)nc2S(N)(=O)=O)c2oc(-c3cnoc3)c(C)c(=O)c2c1
InChIInChI=1S/C22H21N3O6S/c1-11-7-16(14(4)30-18-6-5-12(2)25-22(18)32(23,27)28)21-17(8-11)19(26)13(3)20(31-21)15-9-24-29-10-15/h5-10,14H,1-4H3,(H2,23,27,28)/t14-/m1/s1
InChIKeyNDEQQPDPXZJEBW-CQSZACIVSA-N
XLogP3.56
TPSA138.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide 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-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171549219
6-chloro-3-[(1R)-1-[2-[2-(1-cyanocyclopropyl)pyrimidin-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549175
6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyrazolo[1,5-a]pyrimidin-6-ylchromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171611180
6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549107
6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171611174
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171611049
6-chloro-3-[1-[3,6-dimethyl-2-[1-(2-methylsulfinylethyl)pyrazol-4-yl]-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549020
3-[(1R)-1-[3,6-dimethyl-4-oxo-2-(2-propan-2-yloxypyrimidin-5-yl)chromen-8-yl]ethoxy]-6-methylpyridine-2-carboxamide
CID 171549452
3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171549332
6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549398
5-chloro-2-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]benzenesulfonamide
CID 171549245
6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549185

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide?
The IUPAC name of 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide (CID 171549065) is 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide.
What is the SMILES notation for 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide?
The canonical SMILES for 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide is Cc1cc([C@@H](C)Oc2ccc(C)nc2S(N)(=O)=O)c2oc(-c3cnoc3)c(C)c(=O)c2c1.
What is the InChIKey of 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide?
The InChIKey is NDEQQPDPXZJEBW-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-11-7-16(14(4)30-18-6-5-12(2)25-22(18)32(23,27)28)21-17(8-11)19(26)13(3)20(31-21)15-9-24-29-10-15/h5-10,14H,1-4H3,(H2,23,27,28)/t14-/m1/s1.
What are the key properties of 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide?
3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide has a molecular weight of 455.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide is sourced from PubChem (CID 171549065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).