3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide

C19H23NO3S — CID 19219305

IUPAC3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)CC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(22,23)20(16-8-6-5-7-9-16)18(21)14-19(2,3)4/h5-13H,14H2,1-4H3
InChIKeyCEYJHKMIJZZXSP-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.15
Rot. Bonds4

About 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide

3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide (PubChem CID 19219305) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
PubChem CID19219305
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)CC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(22,23)20(16-8-6-5-7-9-16)18(21)14-19(2,3)4/h5-13H,14H2,1-4H3
InChIKeyCEYJHKMIJZZXSP-UHFFFAOYSA-N
XLogP4.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219311
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
N-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
CID 19210572
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219033
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436
N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
CID 19210513
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
The IUPAC name of 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide (CID 19219305) is 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide is Cc1ccc(S(=O)(=O)N(C(=O)CC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
The InChIKey is CEYJHKMIJZZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(22,23)20(16-8-6-5-7-9-16)18(21)14-19(2,3)4/h5-13H,14H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide has a molecular weight of 345.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide is sourced from PubChem (CID 19219305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).