3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide

C23H21N3O5S2 — CID 43067087

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C23H21N3O5S2/c1-15-19(16(2)31-25-15)14-30-18-8-5-7-17(13-18)23(27)24-20-9-3-4-10-21(20)26-33(28,29)22-11-6-12-32-22/h3-13,26H,14H2,1-2H3,(H,24,27)
InChIKeySIBOXKUPZMUXQM-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.99
Rot. Bonds8

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide (PubChem CID 43067087) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
PubChem CID43067087
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C23H21N3O5S2/c1-15-19(16(2)31-25-15)14-30-18-8-5-7-17(13-18)23(27)24-20-9-3-4-10-21(20)26-33(28,29)22-11-6-12-32-22/h3-13,26H,14H2,1-2H3,(H,24,27)
InChIKeySIBOXKUPZMUXQM-UHFFFAOYSA-N
XLogP4.99
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methoxymethyl)phenyl]benzamide
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2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
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N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9146267
methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 30371680
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide (CID 43067087) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
The InChIKey is SIBOXKUPZMUXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-15-19(16(2)31-25-15)14-30-18-8-5-7-17(13-18)23(27)24-20-9-3-4-10-21(20)26-33(28,29)22-11-6-12-32-22/h3-13,26H,14H2,1-2H3,(H,24,27).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 43067087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).