N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C19H23NO4S — CID 2147246

IUPACN-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C19H23NO4S/c1-13(2)17-10-7-15(4)11-18(17)24-12-19(21)20-25(22,23)16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyBHSGGPOUYUCNJV-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.31
Rot. Bonds6

About N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2147246) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID2147246
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C19H23NO4S/c1-13(2)17-10-7-15(4)11-18(17)24-12-19(21)20-25(22,23)16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyBHSGGPOUYUCNJV-UHFFFAOYSA-N
XLogP3.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2147246) is N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(S(=O)(=O)NC(=O)COc2cc(C)ccc2C(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is BHSGGPOUYUCNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13(2)17-10-7-15(4)11-18(17)24-12-19(21)20-25(22,23)16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H,20,21).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 361.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2147246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).