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

C22H25N3O5S — CID 2950699

IUPAC2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-15(2)19-7-5-6-8-20(19)29-14-22(26)23-17-9-11-18(12-10-17)31(27,28)25-21-13-16(3)30-24-21/h5-13,15H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyLVELBPNWOUGWAI-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.31
Rot. Bonds9

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

2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2950699) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID2950699
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-15(2)19-7-5-6-8-20(19)29-14-22(26)23-17-9-11-18(12-10-17)31(27,28)25-21-13-16(3)30-24-21/h5-13,15H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyLVELBPNWOUGWAI-UHFFFAOYSA-N
XLogP4.31
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1015338
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2072642
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 2950699) is 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is CCC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is LVELBPNWOUGWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-15(2)19-7-5-6-8-20(19)29-14-22(26)23-17-9-11-18(12-10-17)31(27,28)25-21-13-16(3)30-24-21/h5-13,15H,4,14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2950699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).