2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C20H26N2O5S — CID 1095230

IUPAC2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-14(2)15-6-8-16(9-7-15)21-20(23)13-22(28(5,24)25)17-10-11-18(26-3)19(12-17)27-4/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyFYLHWXKUKNWCSG-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.23
Rot. Bonds8

About 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1095230) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1095230
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-14(2)15-6-8-16(9-7-15)21-20(23)13-22(28(5,24)25)17-10-11-18(26-3)19(12-17)27-4/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyFYLHWXKUKNWCSG-UHFFFAOYSA-N
XLogP3.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2282293
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028
N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221074
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 2899601

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 1095230) is 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FYLHWXKUKNWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(2)15-6-8-16(9-7-15)21-20(23)13-22(28(5,24)25)17-10-11-18(26-3)19(12-17)27-4/h6-12,14H,13H2,1-5H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 406.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1095230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).