2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide

C13H18N4O3S — CID 103106525

IUPAC2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C13H18N4O3S/c1-4-17(3)13(18)9(2)16-21(19,20)12-6-5-11(15)7-10(12)8-14/h5-7,9,16H,4,15H2,1-3H3
InChIKeyCRKWYBOJKOZUBT-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.29
Rot. Bonds5

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

2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103106525) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
PubChem CID103106525
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C13H18N4O3S/c1-4-17(3)13(18)9(2)16-21(19,20)12-6-5-11(15)7-10(12)8-14/h5-7,9,16H,4,15H2,1-3H3
InChIKeyCRKWYBOJKOZUBT-UHFFFAOYSA-N
XLogP0.29
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945076
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176394
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466265
2-[(4-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110433
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110430
4-amino-2-cyano-N,N-dimethylbenzenesulfonamide
CID 43256213
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (CID 103106525) is 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NS(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is CRKWYBOJKOZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-4-17(3)13(18)9(2)16-21(19,20)12-6-5-11(15)7-10(12)8-14/h5-7,9,16H,4,15H2,1-3H3.
What are the key properties of 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 310.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).