N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide

C28H35N3O5S — CID 59102489

IUPACN-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide
SMILESCCCC(=O)N(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc1)C(C(C)=O)C(C)C
InChIInChI=1S/C28H35N3O5S/c1-7-10-26(33)31(27(18(2)3)20(5)32)17-22-13-15-23(16-14-22)24-11-8-9-12-25(24)37(34,35)30-28-19(4)21(6)36-29-28/h8-9,11-16,18,27H,7,10,17H2,1-6H3,(H,29,30)
InChIKeyNUDAMQUOHSIYJN-UHFFFAOYSA-N
MW525.67 g/mol
LogP5.50
Rot. Bonds11

About N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide

N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide (PubChem CID 59102489) has the molecular formula C28H35N3O5S and a molecular weight of 525.67 g/mol. Its IUPAC name is N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide.

Molecular Properties

Compound NameN-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide
PubChem CID59102489
Molecular FormulaC28H35N3O5S
Molecular Weight525.67 g/mol
Exact Mass525.23
IUPAC NameN-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide
SMILESCCCC(=O)N(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc1)C(C(C)=O)C(C)C
InChIInChI=1S/C28H35N3O5S/c1-7-10-26(33)31(27(18(2)3)20(5)32)17-22-13-15-23(16-14-22)24-11-8-9-12-25(24)37(34,35)30-28-19(4)21(6)36-29-28/h8-9,11-16,18,27H,7,10,17H2,1-6H3,(H,29,30)
InChIKeyNUDAMQUOHSIYJN-UHFFFAOYSA-N
XLogP5.50
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.67
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The IUPAC name of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide (CID 59102489) is N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide.
What is the SMILES notation for N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The canonical SMILES for N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide is CCCC(=O)N(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc1)C(C(C)=O)C(C)C.
What is the InChIKey of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The InChIKey is NUDAMQUOHSIYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5S/c1-7-10-26(33)31(27(18(2)3)20(5)32)17-22-13-15-23(16-14-22)24-11-8-9-12-25(24)37(34,35)30-28-19(4)21(6)36-29-28/h8-9,11-16,18,27H,7,10,17H2,1-6H3,(H,29,30).
What are the key properties of N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide?
N-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide has a molecular weight of 525.67 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 6 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]phenyl]methyl]-N-(2-methyl-4-oxopentan-3-yl)butanamide is sourced from PubChem (CID 59102489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).