2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide

C20H27N3O3S — CID 18096563

IUPAC2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H27N3O3S/c1-14(2)17-8-6-7-9-18(17)22-20(24)13-21-16-11-10-15(3)19(12-16)27(25,26)23(4)5/h6-12,14,21H,13H2,1-5H3,(H,22,24)
InChIKeyHXZHSHNGRGIEMZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.42
Rot. Bonds7

About 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide

2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 18096563) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID18096563
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H27N3O3S/c1-14(2)17-8-6-7-9-18(17)22-20(24)13-21-16-11-10-15(3)19(12-16)27(25,26)23(4)5/h6-12,14,21H,13H2,1-5H3,(H,22,24)
InChIKeyHXZHSHNGRGIEMZ-UHFFFAOYSA-N
XLogP3.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide (CID 18096563) is 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is HXZHSHNGRGIEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14(2)17-8-6-7-9-18(17)22-20(24)13-21-16-11-10-15(3)19(12-16)27(25,26)23(4)5/h6-12,14,21H,13H2,1-5H3,(H,22,24).
What are the key properties of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 18096563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).