N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H22N4O4S2 — CID 43853212

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C24H22N4O4S2/c1-16-25-26-24(33-16)27-34(30,31)21-10-11-22-19(14-21)7-4-12-28(22)23(29)15-32-20-9-8-17-5-2-3-6-18(17)13-20/h2-3,5-6,8-11,13-14H,4,7,12,15H2,1H3,(H,26,27)
InChIKeyUSCBGOXEPCKFED-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.16
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 43853212) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID43853212
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C24H22N4O4S2/c1-16-25-26-24(33-16)27-34(30,31)21-10-11-22-19(14-21)7-4-12-28(22)23(29)15-32-20-9-8-17-5-2-3-6-18(17)13-20/h2-3,5-6,8-11,13-14H,4,7,12,15H2,1H3,(H,26,27)
InChIKeyUSCBGOXEPCKFED-UHFFFAOYSA-N
XLogP4.16
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[2-(2,4-dichlorophenoxy)acetyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853257
1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853234
1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853224
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853293
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
2-(3-methylphenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26466084
1-acetyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100621779
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853268
methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
CID 55448230
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-2-sulfonamide
CID 7498928
2-(3-methyl-4-nitrophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24527680

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 43853212) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)COc2ccc3ccccc3c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is USCBGOXEPCKFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-16-25-26-24(33-16)27-34(30,31)21-10-11-22-19(14-21)7-4-12-28(22)23(29)15-32-20-9-8-17-5-2-3-6-18(17)13-20/h2-3,5-6,8-11,13-14H,4,7,12,15H2,1H3,(H,26,27).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 494.60 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 43853212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).