2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

C19H19N3O3S2 — CID 7363718

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c(C)cccc12
InChIInChI=1S/C19H19N3O3S2/c1-12-5-3-8-16-13(2)9-18(22-19(12)16)26-11-17(23)21-14-6-4-7-15(10-14)27(20,24)25/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyJYNSSICJHMVFPK-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.23
Rot. Bonds5

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 7363718) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID7363718
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c(C)cccc12
InChIInChI=1S/C19H19N3O3S2/c1-12-5-3-8-16-13(2)9-18(22-19(12)16)26-11-17(23)21-14-6-4-7-15(10-14)27(20,24)25/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyJYNSSICJHMVFPK-UHFFFAOYSA-N
XLogP3.23
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
propan-2-yl 3-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 39757955
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7743687
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22695400
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 5091800
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4968901
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 55752458

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 7363718) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is Cc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is JYNSSICJHMVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-12-5-3-8-16-13(2)9-18(22-19(12)16)26-11-17(23)21-14-6-4-7-15(10-14)27(20,24)25/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 7363718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).