2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

C22H25N3O5S — CID 993058

IUPAC2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)no1
InChIInChI=1S/C22H25N3O5S/c1-15-13-20(24-30-15)25-31(27,28)17-11-9-16(10-12-17)23-21(26)14-29-19-8-6-5-7-18(19)22(2,3)4/h5-13H,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyITBPUAFIASJSBY-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.10
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 993058) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID993058
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)no1
InChIInChI=1S/C22H25N3O5S/c1-15-13-20(24-30-15)25-31(27,28)17-11-9-16(10-12-17)23-21(26)14-29-19-8-6-5-7-18(19)22(2,3)4/h5-13H,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyITBPUAFIASJSBY-UHFFFAOYSA-N
XLogP4.10
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-[4-(propan-2-yl)phenoxy]acetamide
CID 985941
2-(4-Chloro-phenoxy)-N-[4-(5-methyl-isoxazol-3-ylsulfamoyl)-phenyl]-acetamide
CID 644805
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-4-p-tolyloxy-butyramide
CID 652041
2-(2-chlorophenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 1014099
2-(4-methoxyphenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide
CID 1015184
2-(2-isopropylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 1015460
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 1078109
2-(4-chloro-3-methylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 1088168
2-methoxy-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
CID 1093076
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(4-ethylphenoxy)acetamide
CID 1107619
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
CID 1154224
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(3-ethylphenoxy)acetamide
CID 1192504

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 993058) is 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)no1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ITBPUAFIASJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-15-13-20(24-30-15)25-31(27,28)17-11-9-16(10-12-17)23-21(26)14-29-19-8-6-5-7-18(19)22(2,3)4/h5-13H,14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 993058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).