4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide

C20H21N3O4S — CID 109061783

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)no1
InChIInChI=1S/C20H21N3O4S/c1-13(2)15-4-8-17(9-5-15)21-20(24)16-6-10-18(11-7-16)28(25,26)23-19-12-14(3)27-22-19/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyIXWOEPZLISSKBF-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.16
Rot. Bonds6

About 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide

4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 109061783) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
PubChem CID109061783
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)no1
InChIInChI=1S/C20H21N3O4S/c1-13(2)15-4-8-17(9-5-15)21-20(24)16-6-10-18(11-7-16)28(25,26)23-19-12-14(3)27-22-19/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyIXWOEPZLISSKBF-UHFFFAOYSA-N
XLogP4.16
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1010376
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 25036468
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109061835
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide (CID 109061783) is 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide is Cc1cc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is IXWOEPZLISSKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13(2)15-4-8-17(9-5-15)21-20(24)16-6-10-18(11-7-16)28(25,26)23-19-12-14(3)27-22-19/h4-13H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide?
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 109061783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).