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

C16H21N3O4S — CID 2395547

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O4S/c1-10(2)9-15(20)17-13-5-7-14(8-6-13)24(21,22)19-16-11(3)12(4)18-23-16/h5-8,10,19H,9H2,1-4H3,(H,17,20)
InChIKeyZJUNYFSNASTBPS-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.08
Rot. Bonds6

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide (PubChem CID 2395547) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide
PubChem CID2395547
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O4S/c1-10(2)9-15(20)17-13-5-7-14(8-6-13)24(21,22)19-16-11(3)12(4)18-23-16/h5-8,10,19H,9H2,1-4H3,(H,17,20)
InChIKeyZJUNYFSNASTBPS-UHFFFAOYSA-N
XLogP3.08
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide 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]-3-methylbutanamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide (CID 2395547) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide?
The InChIKey is ZJUNYFSNASTBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-10(2)9-15(20)17-13-5-7-14(8-6-13)24(21,22)19-16-11(3)12(4)18-23-16/h5-8,10,19H,9H2,1-4H3,(H,17,20).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide has a molecular weight of 351.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 2395547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).