N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide

C22H18N6O5S2 — CID 25034825

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nc(N)c(C#N)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C22H18N6O5S2/c1-12(21(30)26-14-5-7-15(8-6-14)35(31,32)28-13(2)29)34-22-17(11-24)19(18-4-3-9-33-18)16(10-23)20(25)27-22/h3-9,12H,1-2H3,(H2,25,27)(H,26,30)(H,28,29)
InChIKeyZJPARDDPAUOCQN-UHFFFAOYSA-N
MW510.56 g/mol
LogP2.61
Rot. Bonds7

About N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide

N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 25034825) has the molecular formula C22H18N6O5S2 and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID25034825
Molecular FormulaC22H18N6O5S2
Molecular Weight510.56 g/mol
Exact Mass510.08
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nc(N)c(C#N)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C22H18N6O5S2/c1-12(21(30)26-14-5-7-15(8-6-14)35(31,32)28-13(2)29)34-22-17(11-24)19(18-4-3-9-33-18)16(10-23)20(25)27-22/h3-9,12H,1-2H3,(H2,25,27)(H,26,30)(H,28,29)
InChIKeyZJPARDDPAUOCQN-UHFFFAOYSA-N
XLogP2.61
TPSA191.97 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.56
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide with MolForge

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Related Compounds

2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23942614
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)propanamide
CID 23858814
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3-chlorophenyl)propanamide
CID 23970568
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide
CID 23970545
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 25048887
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25043685
2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25045391
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 23830332
4-[2-amino-3,5-dicyano-6-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanyl-4-pyridinyl]-3-methyloxadiazol-3-ium-5-olate
CID 53295434
N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]butanamide
CID 25039775
2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25045820
2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
CID 23971448

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide (CID 25034825) is N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nc(N)c(C#N)c(-c3ccco3)c2C#N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is ZJPARDDPAUOCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O5S2/c1-12(21(30)26-14-5-7-15(8-6-14)35(31,32)28-13(2)29)34-22-17(11-24)19(18-4-3-9-33-18)16(10-23)20(25)27-22/h3-9,12H,1-2H3,(H2,25,27)(H,26,30)(H,28,29).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide?
N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 510.56 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 25034825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).