2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide

C24H22N6O6S2 — CID 4693909

IUPAC2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1cc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C24H22N6O6S2/c1-34-18-8-13(9-19(35-2)22(18)36-3)21-16(10-25)23(27)30-24(17(21)11-26)37-12-20(31)29-14-4-6-15(7-5-14)38(28,32)33/h4-9H,12H2,1-3H3,(H2,27,30)(H,29,31)(H2,28,32,33)
InChIKeyOLBVCMYKIIQLQT-UHFFFAOYSA-N
MW554.61 g/mol
LogP2.48
Rot. Bonds9

About 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 4693909) has the molecular formula C24H22N6O6S2 and a molecular weight of 554.61 g/mol. Its IUPAC name is 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID4693909
Molecular FormulaC24H22N6O6S2
Molecular Weight554.61 g/mol
Exact Mass554.10
IUPAC Name2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1cc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C24H22N6O6S2/c1-34-18-8-13(9-19(35-2)22(18)36-3)21-16(10-25)23(27)30-24(17(21)11-26)37-12-20(31)29-14-4-6-15(7-5-14)38(28,32)33/h4-9H,12H2,1-3H3,(H2,27,30)(H,29,31)(H2,28,32,33)
InChIKeyOLBVCMYKIIQLQT-UHFFFAOYSA-N
XLogP2.48
TPSA203.44 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.61
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide with MolForge

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]butanamide
CID 25039775
methyl 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]acetate
CID 58739672
2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25045820
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
N-(4-acetamidophenyl)-2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]butanamide
CID 23970396
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2229878
2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3142260
3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1,3-benzothiazol-2-yl)propanamide
CID 23833182
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 25037995
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1243855
2-amino-6-(2,3-dihydroxypropylsulfanyl)-4-(3-hydroxy-4,5-dimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 58740106
4-[[6-amino-3,5-dicyano-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-pyridinyl]sulfanyl]butane-1-sulfonamide
CID 135981007

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 4693909) is 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide is COc1cc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is OLBVCMYKIIQLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O6S2/c1-34-18-8-13(9-19(35-2)22(18)36-3)21-16(10-25)23(27)30-24(17(21)11-26)37-12-20(31)29-14-4-6-15(7-5-14)38(28,32)33/h4-9H,12H2,1-3H3,(H2,27,30)(H,29,31)(H2,28,32,33).
What are the key properties of 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 554.61 g/mol, XLogP of 2.48, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4693909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).