N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide

C17H17N3O3S — CID 112760071

IUPACN-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H17N3O3S/c1-20(13-14-6-3-2-4-7-14)17(21)12-19-24(22,23)16-9-5-8-15(10-16)11-18/h2-10,19H,12-13H2,1H3
InChIKeyKVIAPDXCFXIJLA-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.50
Rot. Bonds6

About N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide

N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 112760071) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
PubChem CID112760071
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H17N3O3S/c1-20(13-14-6-3-2-4-7-14)17(21)12-19-24(22,23)16-9-5-8-15(10-16)11-18/h2-10,19H,12-13H2,1H3
InChIKeyKVIAPDXCFXIJLA-UHFFFAOYSA-N
XLogP1.50
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2568918
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6620438
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559
N-[(4-bromophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55328980
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide (CID 112760071) is N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is KVIAPDXCFXIJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20(13-14-6-3-2-4-7-14)17(21)12-19-24(22,23)16-9-5-8-15(10-16)11-18/h2-10,19H,12-13H2,1H3.
What are the key properties of N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide?
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 343.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 112760071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).