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

C22H25N3O5S — CID 649495

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1
InChIInChI=1S/C22H25N3O5S/c1-15-6-4-7-19(14-15)29-13-5-8-21(26)23-18-9-11-20(12-10-18)31(27,28)25-22-16(2)17(3)24-30-22/h4,6-7,9-12,14,25H,5,8,13H2,1-3H3,(H,23,26)
InChIKeyBTIXDEWCLGIGLT-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.20
Rot. Bonds9

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide (PubChem CID 649495) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide
PubChem CID649495
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1
InChIInChI=1S/C22H25N3O5S/c1-15-6-4-7-19(14-15)29-13-5-8-21(26)23-18-9-11-20(12-10-18)31(27,28)25-22-16(2)17(3)24-30-22/h4,6-7,9-12,14,25H,5,8,13H2,1-3H3,(H,23,26)
InChIKeyBTIXDEWCLGIGLT-UHFFFAOYSA-N
XLogP4.20
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide (CID 649495) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is BTIXDEWCLGIGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-15-6-4-7-19(14-15)29-13-5-8-21(26)23-18-9-11-20(12-10-18)31(27,28)25-22-16(2)17(3)24-30-22/h4,6-7,9-12,14,25H,5,8,13H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 443.53 g/mol, XLogP of 4.20, 9 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]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 649495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).