2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C23H25N3O4S2 — CID 4880552

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1cc(SC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12
InChIInChI=1S/C23H25N3O4S2/c1-16-14-22(25-21-9-4-3-8-20(16)21)31-17(2)23(27)24-18-6-5-7-19(15-18)32(28,29)26-10-12-30-13-11-26/h3-9,14-15,17H,10-13H2,1-2H3,(H,24,27)
InChIKeyAEHRJLVBYROTHH-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 4880552) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID4880552
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1cc(SC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12
InChIInChI=1S/C23H25N3O4S2/c1-16-14-22(25-21-9-4-3-8-20(16)21)31-17(2)23(27)24-18-6-5-7-19(15-18)32(28,29)26-10-12-30-13-11-26/h3-9,14-15,17H,10-13H2,1-2H3,(H,24,27)
InChIKeyAEHRJLVBYROTHH-UHFFFAOYSA-N
XLogP3.68
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813064
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 55640216
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43029497
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 40786654
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 40786655
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3411491
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2R)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 98411109
(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 7395631
(2R)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 25363501
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 4880552) is 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is Cc1cc(SC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is AEHRJLVBYROTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-16-14-22(25-21-9-4-3-8-20(16)21)31-17(2)23(27)24-18-6-5-7-19(15-18)32(28,29)26-10-12-30-13-11-26/h3-9,14-15,17H,10-13H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 471.60 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4880552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).