N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide

C17H17N3O3S — CID 112760070

IUPACN-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-20(13-15-5-3-2-4-6-15)17(21)12-19-24(22,23)16-9-7-14(11-18)8-10-16/h2-10,19H,12-13H2,1H3
InChIKeyZDMCVLHZBLAOJU-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.50
Rot. Bonds6

About N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide

N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 112760070) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
PubChem CID112760070
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-20(13-15-5-3-2-4-6-15)17(21)12-19-24(22,23)16-9-7-14(11-18)8-10-16/h2-10,19H,12-13H2,1H3
InChIKeyZDMCVLHZBLAOJU-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-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2568918
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6620438
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39860943
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide (CID 112760070) is N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is ZDMCVLHZBLAOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20(13-15-5-3-2-4-6-15)17(21)12-19-24(22,23)16-9-7-14(11-18)8-10-16/h2-10,19H,12-13H2,1H3.
What are the key properties of N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide?
N-benzyl-2-[(4-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-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 112760070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).