2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide

C16H25N3O4S — CID 50807919

IUPAC2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H25N3O4S/c1-13-6-8-14(9-7-13)19(24(21,22)18(2)3)12-16(20)17-11-15-5-4-10-23-15/h6-9,15H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeySOZMVAAABSKFNN-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.90
Rot. Bonds7

About 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 50807919) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID50807919
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H25N3O4S/c1-13-6-8-14(9-7-13)19(24(21,22)18(2)3)12-16(20)17-11-15-5-4-10-23-15/h6-9,15H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeySOZMVAAABSKFNN-UHFFFAOYSA-N
XLogP0.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1357592
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26815378
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(4-bromo-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3252615
2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2929871
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2897190
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7367014
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3143342

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide (CID 50807919) is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SOZMVAAABSKFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-6-8-14(9-7-13)19(24(21,22)18(2)3)12-16(20)17-11-15-5-4-10-23-15/h6-9,15H,4-5,10-12H2,1-3H3,(H,17,20).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 50807919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).