N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide

C14H14N4O4S2 — CID 110634940

IUPACN-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCC(=O)c3cc(C)ccc32)s1
InChIInChI=1S/C14H14N4O4S2/c1-8-3-4-11-10(7-8)12(20)5-6-18(11)24(21,22)14-17-16-13(23-14)15-9(2)19/h3-4,7H,5-6H2,1-2H3,(H,15,16,19)
InChIKeyBDFPIAICGZQFIT-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.59
Rot. Bonds3

About N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110634940) has the molecular formula C14H14N4O4S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110634940
Molecular FormulaC14H14N4O4S2
Molecular Weight366.42 g/mol
Exact Mass366.05
IUPAC NameN-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCC(=O)c3cc(C)ccc32)s1
InChIInChI=1S/C14H14N4O4S2/c1-8-3-4-11-10(7-8)12(20)5-6-18(11)24(21,22)14-17-16-13(23-14)15-9(2)19/h3-4,7H,5-6H2,1-2H3,(H,15,16,19)
InChIKeyBDFPIAICGZQFIT-UHFFFAOYSA-N
XLogP1.59
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110316065
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56920904
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56919403
N-[5-[[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]sulfonyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 100703343
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one
CID 110634929
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435
6-methyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110634928
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
CID 110634944
N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 113383321
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 22517621
N-[5-[4-(2-oxopropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110665646

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110634940) is N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N2CCC(=O)c3cc(C)ccc32)s1.
What is the InChIKey of N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BDFPIAICGZQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S2/c1-8-3-4-11-10(7-8)12(20)5-6-18(11)24(21,22)14-17-16-13(23-14)15-9(2)19/h3-4,7H,5-6H2,1-2H3,(H,15,16,19).
What are the key properties of N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110634940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).