N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide

C21H23N3O5S — CID 1107619

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-16-5-9-18(10-6-16)28-13-20(25)22-17-7-11-19(12-8-17)30(26,27)24-21-14(2)15(3)23-29-21/h5-12,24H,4,13H2,1-3H3,(H,22,25)
InChIKeyRXQHBVQGPPRMBY-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.67
Rot. Bonds8

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 1107619) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide
PubChem CID1107619
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-16-5-9-18(10-6-16)28-13-20(25)22-17-7-11-19(12-8-17)30(26,27)24-21-14(2)15(3)23-29-21/h5-12,24H,4,13H2,1-3H3,(H,22,25)
InChIKeyRXQHBVQGPPRMBY-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide (CID 1107619) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is RXQHBVQGPPRMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-16-5-9-18(10-6-16)28-13-20(25)22-17-7-11-19(12-8-17)30(26,27)24-21-14(2)15(3)23-29-21/h5-12,24H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 1107619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).