2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

C13H17N3O3S — CID 115569559

IUPAC2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H17N3O3S/c1-10(2)8-15-13(17)9-16-20(18,19)12-5-3-4-11(6-12)7-14/h3-6,10,16H,8-9H2,1-2H3,(H,15,17)
InChIKeyZPDLQFZQIMPZPE-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.61
Rot. Bonds6

About 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 115569559) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID115569559
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H17N3O3S/c1-10(2)8-15-13(17)9-16-20(18,19)12-5-3-4-11(6-12)7-14/h3-6,10,16H,8-9H2,1-2H3,(H,15,17)
InChIKeyZPDLQFZQIMPZPE-UHFFFAOYSA-N
XLogP0.61
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 115581954
N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
CID 43606402
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
2-[(3-cyanophenyl)methylsulfonyl]-N-(2-methylpropyl)acetamide
CID 82177616
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664547
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (CID 115569559) is 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is ZPDLQFZQIMPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(2)8-15-13(17)9-16-20(18,19)12-5-3-4-11(6-12)7-14/h3-6,10,16H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115569559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).