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

C20H20N4O4S2 — CID 43853234

IUPAC1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1ccccc1C(=O)N1CCCc2cc(S(=O)(=O)Nc3nnc(C)s3)ccc21
InChIInChI=1S/C20H20N4O4S2/c1-13-21-22-20(29-13)23-30(26,27)15-9-10-17-14(12-15)6-5-11-24(17)19(25)16-7-3-4-8-18(16)28-2/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,22,23)
InChIKeySWOGPGIHMZYODO-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.25
Rot. Bonds5

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

1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 43853234) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID43853234
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1ccccc1C(=O)N1CCCc2cc(S(=O)(=O)Nc3nnc(C)s3)ccc21
InChIInChI=1S/C20H20N4O4S2/c1-13-21-22-20(29-13)23-30(26,27)15-9-10-17-14(12-15)6-5-11-24(17)19(25)16-7-3-4-8-18(16)28-2/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,22,23)
InChIKeySWOGPGIHMZYODO-UHFFFAOYSA-N
XLogP3.25
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853224
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853212
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-[2-(2,4-dichlorophenoxy)acetyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853257
1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247836
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853268
1-acetyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100621779
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
CID 17248041

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 43853234) is 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is COc1ccccc1C(=O)N1CCCc2cc(S(=O)(=O)Nc3nnc(C)s3)ccc21.
What is the InChIKey of 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is SWOGPGIHMZYODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-13-21-22-20(29-13)23-30(26,27)15-9-10-17-14(12-15)6-5-11-24(17)19(25)16-7-3-4-8-18(16)28-2/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,22,23).
What are the key properties of 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 444.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 43853234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).