N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide

C28H27N5O6S2 — CID 25035336

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide
SMILESCOc1ccc(-c2nnc(SCCC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27N5O6S2/c1-18(34)33-41(36,37)24-14-8-21(9-15-24)29-25(35)16-17-40-28-30-26(19-4-10-22(38-2)11-5-19)27(31-32-28)20-6-12-23(39-3)13-7-20/h4-15H,16-17H2,1-3H3,(H,29,35)(H,33,34)
InChIKeyQOYLSADYXVTQFH-UHFFFAOYSA-N
MW593.69 g/mol
LogP4.17
Rot. Bonds11

About N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide

N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide (PubChem CID 25035336) has the molecular formula C28H27N5O6S2 and a molecular weight of 593.69 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide
PubChem CID25035336
Molecular FormulaC28H27N5O6S2
Molecular Weight593.69 g/mol
Exact Mass593.14
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide
SMILESCOc1ccc(-c2nnc(SCCC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27N5O6S2/c1-18(34)33-41(36,37)24-14-8-21(9-15-24)29-25(35)16-17-40-28-30-26(19-4-10-22(38-2)11-5-19)27(31-32-28)20-6-12-23(39-3)13-7-20/h4-15H,16-17H2,1-3H3,(H,29,35)(H,33,34)
InChIKeyQOYLSADYXVTQFH-UHFFFAOYSA-N
XLogP4.17
TPSA149.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.69
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 23832988
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25043417
3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23945093
2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 6413593
N-[4-(acetylsulfamoyl)phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 25042312
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25039874
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25038153
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25049653
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25039877

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide (CID 25035336) is N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide is COc1ccc(-c2nnc(SCCC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide?
The InChIKey is QOYLSADYXVTQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O6S2/c1-18(34)33-41(36,37)24-14-8-21(9-15-24)29-25(35)16-17-40-28-30-26(19-4-10-22(38-2)11-5-19)27(31-32-28)20-6-12-23(39-3)13-7-20/h4-15H,16-17H2,1-3H3,(H,29,35)(H,33,34).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide?
N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide has a molecular weight of 593.69 g/mol, XLogP of 4.17, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 25035336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).