2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide

C19H23NO3S — CID 102402496

IUPAC2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14-5-11-17(12-6-14)24(22,23)20-18(21)13-15-7-9-16(10-8-15)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyPYLWDAYWHDUMCR-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide

2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 102402496) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID102402496
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14-5-11-17(12-6-14)24(22,23)20-18(21)13-15-7-9-16(10-8-15)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyPYLWDAYWHDUMCR-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)sulfonylcyclohexanecarboxamide
CID 4879102
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
4-Methyl-N-tosylbenzamide
CID 286201
4-[4-(4-Methylphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide
CID 90654516
4-(4-Sulfamoylphenyl)benzamide
CID 122194773
2-[4-(2-methylpropyl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 145975933
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide
CID 162657742
2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 890706
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3853249
N-(benzenesulfonyl)-2-(4-fluorophenyl)acetamide
CID 47108695
N-(5-tert-butyl-2-methylphenyl)sulfonylbenzamide
CID 973050
4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
CID 2161698

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide (CID 102402496) is 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is PYLWDAYWHDUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-5-11-17(12-6-14)24(22,23)20-18(21)13-15-7-9-16(10-8-15)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 345.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 102402496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).