2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide

C25H27NO4S — CID 19217830

IUPAC2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)COc2c(C)cccc2C)c2cccc(C)c2C)cc1
InChIInChI=1S/C25H27NO4S/c1-17-12-14-22(15-13-17)31(28,29)26(23-11-7-8-18(2)21(23)5)24(27)16-30-25-19(3)9-6-10-20(25)4/h6-15H,16H2,1-5H3
InChIKeyAKKNCOPGLOQKRZ-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.03
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide

2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 19217830) has the molecular formula C25H27NO4S and a molecular weight of 437.56 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID19217830
Molecular FormulaC25H27NO4S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC Name2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)COc2c(C)cccc2C)c2cccc(C)c2C)cc1
InChIInChI=1S/C25H27NO4S/c1-17-12-14-22(15-13-17)31(28,29)26(23-11-7-8-18(2)21(23)5)24(27)16-30-25-19(3)9-6-10-20(25)4/h6-15H,16H2,1-5H3
InChIKeyAKKNCOPGLOQKRZ-UHFFFAOYSA-N
XLogP5.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
N-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394
N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
CID 19217816
N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 19218031
4-(4-chloro-3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19219251
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218406
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
CID 19218618
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 126031297
(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
CID 19212124
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide (CID 19217830) is 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)N(C(=O)COc2c(C)cccc2C)c2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is AKKNCOPGLOQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4S/c1-17-12-14-22(15-13-17)31(28,29)26(23-11-7-8-18(2)21(23)5)24(27)16-30-25-19(3)9-6-10-20(25)4/h6-15H,16H2,1-5H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 437.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 19217830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).