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

C21H23N3O5S — CID 652041

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-15-5-9-18(10-6-15)28-13-3-4-21(25)22-17-7-11-19(12-8-17)30(26,27)24-20-14-16(2)29-23-20/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPWIRAGJYIPCEFW-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.89
Rot. Bonds9

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

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide (PubChem CID 652041) 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]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
PubChem CID652041
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-15-5-9-18(10-6-15)28-13-3-4-21(25)22-17-7-11-19(12-8-17)30(26,27)24-20-14-16(2)29-23-20/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPWIRAGJYIPCEFW-UHFFFAOYSA-N
XLogP3.89
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide (CID 652041) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is PWIRAGJYIPCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-15-5-9-18(10-6-15)28-13-3-4-21(25)22-17-7-11-19(12-8-17)30(26,27)24-20-14-16(2)29-23-20/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 429.50 g/mol, XLogP of 3.89, 9 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]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 652041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).