N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide

C16H20N2O4S — CID 130428220

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2c(C)noc2C)ccc1C(C)C
InChIInChI=1S/C16H20N2O4S/c1-9(2)14-7-6-13(8-10(14)3)16(19)18-23(20,21)15-11(4)17-22-12(15)5/h6-9H,1-5H3,(H,18,19)
InChIKeyIFDCOXOHOHPLBP-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.84
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide (PubChem CID 130428220) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide
PubChem CID130428220
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2c(C)noc2C)ccc1C(C)C
InChIInChI=1S/C16H20N2O4S/c1-9(2)14-7-6-13(8-10(14)3)16(19)18-23(20,21)15-11(4)17-22-12(15)5/h6-9H,1-5H3,(H,18,19)
InChIKeyIFDCOXOHOHPLBP-UHFFFAOYSA-N
XLogP2.84
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86997801
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 86997815
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide
CID 71933676
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
3-methyl-N,4-di(propan-2-yl)benzamide
CID 59515405
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87011350
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
N-[(2S)-1-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55936972
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8870743
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573316
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide (CID 130428220) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide is Cc1cc(C(=O)NS(=O)(=O)c2c(C)noc2C)ccc1C(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide?
The InChIKey is IFDCOXOHOHPLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-9(2)14-7-6-13(8-10(14)3)16(19)18-23(20,21)15-11(4)17-22-12(15)5/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide has a molecular weight of 336.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 130428220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).