N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide

C13H17N3O3S — CID 168521035

IUPACN-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CC#N
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)16-20(18,19)11-7-5-4-6-10(11)15-12(17)8-9-14/h4-7,16H,8H2,1-3H3,(H,15,17)
InChIKeyQVTLVISLLGETKX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide

N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide (PubChem CID 168521035) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
PubChem CID168521035
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CC#N
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)16-20(18,19)11-7-5-4-6-10(11)15-12(17)8-9-14/h4-7,16H,8H2,1-3H3,(H,15,17)
InChIKeyQVTLVISLLGETKX-UHFFFAOYSA-N
XLogP1.62
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide
CID 108923032
N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide
CID 86872196
N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86840883
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023057
8-[(2-cyanoacetyl)amino]naphthalene-1-sulfonic acid
CID 168524341
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
CID 168523802
(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56507765
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide (CID 168521035) is N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide is CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CC#N.
What is the InChIKey of N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide?
The InChIKey is QVTLVISLLGETKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(2,3)16-20(18,19)11-7-5-4-6-10(11)15-12(17)8-9-14/h4-7,16H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide?
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide has a molecular weight of 295.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 168521035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).