2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide

C12H19N3O3S — CID 112992275

IUPAC2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19N3O3S/c1-10-4-6-11(7-5-10)8-13-12(16)9-14-19(17,18)15(2)3/h4-7,14H,8-9H2,1-3H3,(H,13,16)
InChIKeyMTGNMFOQHZIYNI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.01
Rot. Bonds6

About 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide

2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 112992275) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID112992275
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19N3O3S/c1-10-4-6-11(7-5-10)8-13-12(16)9-14-19(17,18)15(2)3/h4-7,14H,8-9H2,1-3H3,(H,13,16)
InChIKeyMTGNMFOQHZIYNI-UHFFFAOYSA-N
XLogP0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(dimethylsulfamoylamino)acetamide
CID 112992858
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992292
2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108995048
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992289
2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
CID 79812535
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide (CID 112992275) is 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MTGNMFOQHZIYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10-4-6-11(7-5-10)8-13-12(16)9-14-19(17,18)15(2)3/h4-7,14H,8-9H2,1-3H3,(H,13,16).
What are the key properties of 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide?
2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112992275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).