2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide

C24H31FN4O3S — CID 155444932

IUPAC2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(C#N)c2)cc(F)cc1C(C)C
InChIInChI=1S/C24H31FN4O3S/c1-5-29(6-2)10-7-11-33(31,32)28-24(30)15-23-21(17(3)4)13-19(25)14-22(23)18-8-9-27-20(12-18)16-26/h8-9,12-14,17H,5-7,10-11,15H2,1-4H3,(H,28,30)
InChIKeyHNWGJJQCESWWCG-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.60
Rot. Bonds11

About 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide

2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide (PubChem CID 155444932) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide
PubChem CID155444932
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC Name2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(C#N)c2)cc(F)cc1C(C)C
InChIInChI=1S/C24H31FN4O3S/c1-5-29(6-2)10-7-11-33(31,32)28-24(30)15-23-21(17(3)4)13-19(25)14-22(23)18-8-9-27-20(12-18)16-26/h8-9,12-14,17H,5-7,10-11,15H2,1-4H3,(H,28,30)
InChIKeyHNWGJJQCESWWCG-UHFFFAOYSA-N
XLogP3.60
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide?
The IUPAC name of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide (CID 155444932) is 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide.
What is the SMILES notation for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide?
The canonical SMILES for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide is CCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(C#N)c2)cc(F)cc1C(C)C.
What is the InChIKey of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide?
The InChIKey is HNWGJJQCESWWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-5-29(6-2)10-7-11-33(31,32)28-24(30)15-23-21(17(3)4)13-19(25)14-22(23)18-8-9-27-20(12-18)16-26/h8-9,12-14,17H,5-7,10-11,15H2,1-4H3,(H,28,30).
What are the key properties of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide?
2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide has a molecular weight of 474.60 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[3-(diethylamino)propylsulfonyl]acetamide is sourced from PubChem (CID 155444932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).