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

C21H23N3O5S — CID 3161652

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-18(28-19-8-6-5-7-14(19)2)21(25)22-16-9-11-17(12-10-16)30(26,27)24-20-13-15(3)29-23-20/h5-13,18H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHMZQNIPFBZYONO-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.89
Rot. Bonds8

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

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (PubChem CID 3161652) 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-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
PubChem CID3161652
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-18(28-19-8-6-5-7-14(19)2)21(25)22-16-9-11-17(12-10-16)30(26,27)24-20-13-15(3)29-23-20/h5-13,18H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHMZQNIPFBZYONO-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (CID 3161652) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is HMZQNIPFBZYONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-18(28-19-8-6-5-7-14(19)2)21(25)22-16-9-11-17(12-10-16)30(26,27)24-20-13-15(3)29-23-20/h5-13,18H,4H2,1-3H3,(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-methylphenoxy)butanamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 429.50 g/mol, XLogP of 3.89, 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-methylphenoxy)butanamide is sourced from PubChem (CID 3161652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).