N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide

C25H29N3O5S — CID 46301341

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2C(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-13-18(3)24-22(14-16)17(2)15-23(29)28(24)19(4)25(30)26-20-5-7-21(8-6-20)34(31,32)27-9-11-33-12-10-27/h5-8,13-15,19H,9-12H2,1-4H3,(H,26,30)
InChIKeyXPOCZERDDYDJBN-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.15
Rot. Bonds5

About N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 46301341) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
PubChem CID46301341
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2C(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-13-18(3)24-22(14-16)17(2)15-23(29)28(24)19(4)25(30)26-20-5-7-21(8-6-20)34(31,32)27-9-11-33-12-10-27/h5-8,13-15,19H,9-12H2,1-4H3,(H,26,30)
InChIKeyXPOCZERDDYDJBN-UHFFFAOYSA-N
XLogP3.15
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301342
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 46301180
N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301338
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 6599964
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
N-(4-morpholin-4-ylsulfonylphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304417
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8704322
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 42925677
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide (CID 46301341) is N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide is Cc1cc(C)c2c(c1)c(C)cc(=O)n2C(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is XPOCZERDDYDJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-16-13-18(3)24-22(14-16)17(2)15-23(29)28(24)19(4)25(30)26-20-5-7-21(8-6-20)34(31,32)27-9-11-33-12-10-27/h5-8,13-15,19H,9-12H2,1-4H3,(H,26,30).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 483.59 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 46301341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).