2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide

C23H20N6O3S2 — CID 87048563

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C(Sc2nc(N)c(C#N)cc2C#N)c2ccccc2)cc1
InChIInChI=1S/C23H20N6O3S2/c1-2-27-34(31,32)19-10-8-18(9-11-19)28-22(30)20(15-6-4-3-5-7-15)33-23-17(14-25)12-16(13-24)21(26)29-23/h3-12,20,27H,2H2,1H3,(H2,26,29)(H,28,30)
InChIKeyZTRSPAVSSIRMPG-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.18
Rot. Bonds8

About 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide (PubChem CID 87048563) has the molecular formula C23H20N6O3S2 and a molecular weight of 492.59 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide
PubChem CID87048563
Molecular FormulaC23H20N6O3S2
Molecular Weight492.59 g/mol
Exact Mass492.10
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C(Sc2nc(N)c(C#N)cc2C#N)c2ccccc2)cc1
InChIInChI=1S/C23H20N6O3S2/c1-2-27-34(31,32)19-10-8-18(9-11-19)28-22(30)20(15-6-4-3-5-7-15)33-23-17(14-25)12-16(13-24)21(26)29-23/h3-12,20,27H,2H2,1H3,(H2,26,29)(H,28,30)
InChIKeyZTRSPAVSSIRMPG-UHFFFAOYSA-N
XLogP3.18
TPSA161.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide 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

(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 99936630
2-amino-5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55392955
(2R)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8940726
2-[4-[[2-[[3-cyano-5-methyl-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 21171961
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 8940644
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 43711022
(2S)-2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 61172487
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 1244717
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25044931
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 25034847

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide (CID 87048563) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide is CCNS(=O)(=O)c1ccc(NC(=O)C(Sc2nc(N)c(C#N)cc2C#N)c2ccccc2)cc1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide?
The InChIKey is ZTRSPAVSSIRMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S2/c1-2-27-34(31,32)19-10-8-18(9-11-19)28-22(30)20(15-6-4-3-5-7-15)33-23-17(14-25)12-16(13-24)21(26)29-23/h3-12,20,27H,2H2,1H3,(H2,26,29)(H,28,30).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide has a molecular weight of 492.59 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[4-(ethylsulfamoyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 87048563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).