N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide

C21H23N3O5S — CID 1015460

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1
InChIInChI=1S/C21H23N3O5S/c1-14(2)18-6-4-5-7-19(18)28-13-21(25)22-16-8-10-17(11-9-16)30(26,27)24-20-12-15(3)29-23-20/h4-12,14H,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyVOUXUXNAQVPMKR-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.92
Rot. Bonds8

About N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 1015460) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID1015460
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1
InChIInChI=1S/C21H23N3O5S/c1-14(2)18-6-4-5-7-19(18)28-13-21(25)22-16-8-10-17(11-9-16)30(26,27)24-20-12-15(3)29-23-20/h4-12,14H,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyVOUXUXNAQVPMKR-UHFFFAOYSA-N
XLogP3.92
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 1015460) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is VOUXUXNAQVPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14(2)18-6-4-5-7-19(18)28-13-21(25)22-16-8-10-17(11-9-16)30(26,27)24-20-12-15(3)29-23-20/h4-12,14H,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1015460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).