N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide

C20H20N4O4S2 — CID 25035594

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1
InChIInChI=1S/C20H20N4O4S2/c1-13(25)24-30(27,28)17-8-6-16(7-9-17)22-19(26)12-29-20-15(11-21)10-14-4-2-3-5-18(14)23-20/h6-10H,2-5,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyBRUXLHDKPPJPGP-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.39
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide

N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide (PubChem CID 25035594) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
PubChem CID25035594
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1
InChIInChI=1S/C20H20N4O4S2/c1-13(25)24-30(27,28)17-8-6-16(7-9-17)22-19(26)12-29-20-15(11-21)10-14-4-2-3-5-18(14)23-20/h6-10H,2-5,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyBRUXLHDKPPJPGP-UHFFFAOYSA-N
XLogP2.39
TPSA129.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25036382
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 23916917
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 1086238
2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25048888
3-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 23972918
2-(2-oxopropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2885672
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 25034848
N-(5-chloro-2-cyanophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 78830896
3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 21233660
2-(2-oxopropylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 71670117
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 5084092
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25036533

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide (CID 25035594) is N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
The InChIKey is BRUXLHDKPPJPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-13(25)24-30(27,28)17-8-6-16(7-9-17)22-19(26)12-29-20-15(11-21)10-14-4-2-3-5-18(14)23-20/h6-10H,2-5,12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 25035594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).