N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide

C30H32N6O5S — CID 44553446

IUPACN-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide
SMILESCCOCc1cc(CN(C(C)=O)c2cc(C)nc3ccnn23)ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C
InChIInChI=1S/C30H32N6O5S/c1-6-40-18-24-16-23(17-35(22(5)37)29-15-19(2)32-28-13-14-31-36(28)29)11-12-25(24)26-9-7-8-10-27(26)42(38,39)34-30-20(3)21(4)41-33-30/h7-16H,6,17-18H2,1-5H3,(H,33,34)
InChIKeyUKOPPEIKYCCYIY-UHFFFAOYSA-N
MW588.69 g/mol
LogP5.20
Rot. Bonds10

About N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide

N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide (PubChem CID 44553446) has the molecular formula C30H32N6O5S and a molecular weight of 588.69 g/mol. Its IUPAC name is N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide
PubChem CID44553446
Molecular FormulaC30H32N6O5S
Molecular Weight588.69 g/mol
Exact Mass588.22
IUPAC NameN-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide
SMILESCCOCc1cc(CN(C(C)=O)c2cc(C)nc3ccnn23)ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C
InChIInChI=1S/C30H32N6O5S/c1-6-40-18-24-16-23(17-35(22(5)37)29-15-19(2)32-28-13-14-31-36(28)29)11-12-25(24)26-9-7-8-10-27(26)42(38,39)34-30-20(3)21(4)41-33-30/h7-16H,6,17-18H2,1-5H3,(H,33,34)
InChIKeyUKOPPEIKYCCYIY-UHFFFAOYSA-N
XLogP5.20
TPSA131.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.69
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(ethoxymethyl)-4-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-(4-fluoro-5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 44554980
N-(4-fluoro-5-methyl-1,2-oxazol-3-yl)-2-[4-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44555133
N-(4-fluoro-5-methyl-1,2-oxazol-3-yl)-2-[4-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-propylphenyl]benzenesulfonamide
CID 44555134
2-[4-[(2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4-fluoro-5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 44556093
2-[4-[amino-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4-fluoro-5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 69038128
2-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4-fluoro-3-methyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 171562150
2-[4-[[5-butyl-3-(1,1-difluoropropyl)-1,2,4-triazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 171562158
2-[4-[[5-butyl-3-(1,1-difluoropropyl)-1,2,4-triazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(methoxymethyl)pyridine-3-sulfonamide
CID 171562167
2-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(methoxymethyl)pyridine-3-sulfonamide
CID 171562176
2-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 171562192
2-[4-[[3-butyl-5-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(methoxymethyl)pyridine-3-sulfonamide
CID 171562197
2-[4-[[3-butyl-5-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 171562200

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide?
The IUPAC name of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide (CID 44553446) is N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide is CCOCc1cc(CN(C(C)=O)c2cc(C)nc3ccnn23)ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C.
What is the InChIKey of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide?
The InChIKey is UKOPPEIKYCCYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O5S/c1-6-40-18-24-16-23(17-35(22(5)37)29-15-19(2)32-28-13-14-31-36(28)29)11-12-25(24)26-9-7-8-10-27(26)42(38,39)34-30-20(3)21(4)41-33-30/h7-16H,6,17-18H2,1-5H3,(H,33,34).
What are the key properties of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide?
N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide has a molecular weight of 588.69 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 44553446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).