5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide

C22H27N5O5S — CID 118470009

IUPAC5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cc(C(=O)N(C)C)no2)c1
InChIInChI=1S/C22H27N5O5S/c1-13-6-7-15(33(30,31)25-12-22(2,3)29)9-16(13)14-8-17(20(23)24-11-14)19-10-18(26-32-19)21(28)27(4)5/h6-11,25,29H,12H2,1-5H3,(H2,23,24)
InChIKeyGDGMXRJGSVWGND-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.05
Rot. Bonds7

About 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide

5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 118470009) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID118470009
Molecular FormulaC22H27N5O5S
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC Name5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cc(C(=O)N(C)C)no2)c1
InChIInChI=1S/C22H27N5O5S/c1-13-6-7-15(33(30,31)25-12-22(2,3)29)9-16(13)14-8-17(20(23)24-11-14)19-10-18(26-32-19)21(28)27(4)5/h6-11,25,29H,12H2,1-5H3,(H2,23,24)
InChIKeyGDGMXRJGSVWGND-UHFFFAOYSA-N
XLogP2.05
TPSA151.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-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

Related Compounds

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N,4-dimethylbenzenesulfonamide
CID 139499925
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzenesulfonamide
CID 118469990
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[2-(oxan-4-yl)ethyl]benzenesulfonamide
CID 126512423
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 126512349
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 118470166
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 118470402
3-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470319
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide;hydrochloride
CID 126512138
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 118470041
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(3-hydroxycyclopentyl)-4-methylbenzenesulfonamide
CID 118470154
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 126512348
3-[6-amino-5-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methylbenzenesulfonamide
CID 118469942

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide (CID 118470009) is 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide is Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cc(C(=O)N(C)C)no2)c1.
What is the InChIKey of 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is GDGMXRJGSVWGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-13-6-7-15(33(30,31)25-12-22(2,3)29)9-16(13)14-8-17(20(23)24-11-14)19-10-18(26-32-19)21(28)27(4)5/h6-11,25,29H,12H2,1-5H3,(H2,23,24).
What are the key properties of 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-5-[5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methylphenyl]-3-pyridinyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118470009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).