N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide

C24H22N4O5S2 — CID 25038433

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCOc1ccc(-c2ccc(C#N)c(SC(C)C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C24H22N4O5S2/c1-15(23(30)26-19-7-11-21(12-8-19)35(31,32)28-16(2)29)34-24-18(14-25)6-13-22(27-24)17-4-9-20(33-3)10-5-17/h4-13,15H,1-3H3,(H,26,30)(H,28,29)
InChIKeyXQLYNOVUIUEDQA-UHFFFAOYSA-N
MW510.60 g/mol
LogP3.57
Rot. Bonds8

About N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide

N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 25038433) has the molecular formula C24H22N4O5S2 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID25038433
Molecular FormulaC24H22N4O5S2
Molecular Weight510.60 g/mol
Exact Mass510.10
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCOc1ccc(-c2ccc(C#N)c(SC(C)C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C24H22N4O5S2/c1-15(23(30)26-19-7-11-21(12-8-19)35(31,32)28-16(2)29)34-24-18(14-25)6-13-22(27-24)17-4-9-20(33-3)10-5-17/h4-13,15H,1-3H3,(H,26,30)(H,28,29)
InChIKeyXQLYNOVUIUEDQA-UHFFFAOYSA-N
XLogP3.57
TPSA138.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 23743382
2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038425
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 25037088
N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]propanamide
CID 25046357
2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23772557
4-chloro-3-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanoylamino]benzoic acid
CID 23858840
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25048922
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25044931
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-phenylpropanamide
CID 3165299
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23942669
N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide
CID 25034825
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 23801702

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide (CID 25038433) is N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide is COc1ccc(-c2ccc(C#N)c(SC(C)C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is XQLYNOVUIUEDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S2/c1-15(23(30)26-19-7-11-21(12-8-19)35(31,32)28-16(2)29)34-24-18(14-25)6-13-22(27-24)17-4-9-20(33-3)10-5-17/h4-13,15H,1-3H3,(H,26,30)(H,28,29).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide?
N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 510.60 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 25038433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).