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

C23H27N3O5S — CID 39736330

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C23H27N3O5S/c1-15-21(16(2)31-25-15)14-30-19-10-6-8-17(12-19)22(27)24-18-9-7-11-20(13-18)32(28,29)26-23(3,4)5/h6-13,26H,14H2,1-5H3,(H,24,27)
InChIKeyHAHAFYURLXIXQH-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.20
Rot. Bonds7

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

N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 39736330) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID39736330
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C23H27N3O5S/c1-15-21(16(2)31-25-15)14-30-19-10-6-8-17(12-19)22(27)24-18-9-7-11-20(13-18)32(28,29)26-23(3,4)5/h6-13,26H,14H2,1-5H3,(H,24,27)
InChIKeyHAHAFYURLXIXQH-UHFFFAOYSA-N
XLogP4.20
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838985
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 4553173
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 26380377
methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 38236289
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46455012
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 48584384
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 41172527
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 51208668

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 39736330) is N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is HAHAFYURLXIXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-15-21(16(2)31-25-15)14-30-19-10-6-8-17(12-19)22(27)24-18-9-7-11-20(13-18)32(28,29)26-23(3,4)5/h6-13,26H,14H2,1-5H3,(H,24,27).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 457.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 39736330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).