2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide

C12H16N4O3S — CID 64899777

IUPAC2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C12H16N4O3S/c1-2-5-15-12(17)8-16-20(18,19)11-4-3-9(7-13)6-10(11)14/h3-4,6,16H,2,5,8,14H2,1H3,(H,15,17)
InChIKeyZICRHPYOAWOKCK-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.06
Rot. Bonds6

About 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide

2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide (PubChem CID 64899777) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide
PubChem CID64899777
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C12H16N4O3S/c1-2-5-15-12(17)8-16-20(18,19)11-4-3-9(7-13)6-10(11)14/h3-4,6,16H,2,5,8,14H2,1H3,(H,15,17)
InChIKeyZICRHPYOAWOKCK-UHFFFAOYSA-N
XLogP-0.06
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
tert-butyl N-[2-[(2-amino-4-cyanophenyl)sulfonylamino]ethyl]carbamate
CID 104932801
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274931
2-[[2-[(2-chloro-4-cyanophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103988510
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
CID 106267367
2-amino-4-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 64900444
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102694330
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809282

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide (CID 64899777) is 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1N.
What is the InChIKey of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is ZICRHPYOAWOKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-5-15-12(17)8-16-20(18,19)11-4-3-9(7-13)6-10(11)14/h3-4,6,16H,2,5,8,14H2,1H3,(H,15,17).
What are the key properties of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide?
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 296.35 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 64899777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).