2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide

C14H23N3O3S — CID 4600961

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C14H23N3O3S/c1-12(2)10-15-14(18)11-17(21(19,20)16(3)4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,15,18)
InChIKeySULRIIYQLKYFLF-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.07
Rot. Bonds7

About 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide (PubChem CID 4600961) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
PubChem CID4600961
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C14H23N3O3S/c1-12(2)10-15-14(18)11-17(21(19,20)16(3)4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,15,18)
InChIKeySULRIIYQLKYFLF-UHFFFAOYSA-N
XLogP1.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3371561
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 132659078
N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170
2-[(2-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132728110
2-[N-(dimethylsulfamoyl)anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2976396
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
CID 97317746
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132726133
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide (CID 4600961) is 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide?
The InChIKey is SULRIIYQLKYFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12(2)10-15-14(18)11-17(21(19,20)16(3)4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,15,18).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4600961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).