N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide

C20H25NO4S — CID 19219311

IUPACN-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
SMILESCOc1ccc(N(C(=O)CC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-15-6-12-18(13-7-15)26(23,24)21(19(22)14-20(2,3)4)16-8-10-17(25-5)11-9-16/h6-13H,14H2,1-5H3
InChIKeyHGNSDBAYDRSWBJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.16
Rot. Bonds5

About N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide

N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide (PubChem CID 19219311) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
PubChem CID19219311
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
SMILESCOc1ccc(N(C(=O)CC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-15-6-12-18(13-7-15)26(23,24)21(19(22)14-20(2,3)4)16-8-10-17(25-5)11-9-16/h6-13H,14H2,1-5H3
InChIKeyHGNSDBAYDRSWBJ-UHFFFAOYSA-N
XLogP4.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
4-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218973
N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 102167641
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218645

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide (CID 19219311) is N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide is COc1ccc(N(C(=O)CC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is HGNSDBAYDRSWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-6-12-18(13-7-15)26(23,24)21(19(22)14-20(2,3)4)16-8-10-17(25-5)11-9-16/h6-13H,14H2,1-5H3.
What are the key properties of N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 375.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 19219311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).