4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide

C20H21N3O4S — CID 3237962

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C20H21N3O4S/c1-4-15-6-5-7-18(12-15)21-20(24)16-8-10-17(11-9-16)23-28(25,26)19-13(2)22-27-14(19)3/h5-12,23H,4H2,1-3H3,(H,21,24)
InChIKeyFYSFIRPOPXRJIR-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.91
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide (PubChem CID 3237962) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide
PubChem CID3237962
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C20H21N3O4S/c1-4-15-6-5-7-18(12-15)21-20(24)16-8-10-17(11-9-16)23-28(25,26)19-13(2)22-27-14(19)3/h5-12,23H,4H2,1-3H3,(H,21,24)
InChIKeyFYSFIRPOPXRJIR-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide (CID 3237962) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide is CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide?
The InChIKey is FYSFIRPOPXRJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-4-15-6-5-7-18(12-15)21-20(24)16-8-10-17(11-9-16)23-28(25,26)19-13(2)22-27-14(19)3/h5-12,23H,4H2,1-3H3,(H,21,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3-ethylphenyl)benzamide is sourced from PubChem (CID 3237962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).