2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide

C12H16N4O4S — CID 114613924

IUPAC2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H16N4O4S/c1-9(12(17)14-5-6-20-2)16-21(18,19)11-4-3-10(7-13)15-8-11/h3-4,8-9,16H,5-6H2,1-2H3,(H,14,17)
InChIKeySJJKONSDWFCEBO-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.62
Rot. Bonds7

About 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide

2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 114613924) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
PubChem CID114613924
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H16N4O4S/c1-9(12(17)14-5-6-20-2)16-21(18,19)11-4-3-10(7-13)15-8-11/h3-4,8-9,16H,5-6H2,1-2H3,(H,14,17)
InChIKeySJJKONSDWFCEBO-UHFFFAOYSA-N
XLogP-0.62
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 114613820
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 106612613
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
CID 104935609
methyl 6-[(6-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 115602651
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930
2-[2-[(6-cyano-3-pyridinyl)sulfonylamino]ethoxy]acetamide
CID 103837965
2-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114517795
6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 115602608

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide (CID 114613924) is 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is SJJKONSDWFCEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-9(12(17)14-5-6-20-2)16-21(18,19)11-4-3-10(7-13)15-8-11/h3-4,8-9,16H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 312.35 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114613924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).