3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

C20H25N3O3S2 — CID 56525211

IUPAC3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN1CCCc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H25N3O3S2/c1-27-19-11-4-3-8-17(19)21-20(24)12-14-23-13-6-7-15-16(22-28(2,25)26)9-5-10-18(15)23/h3-5,8-11,22H,6-7,12-14H2,1-2H3,(H,21,24)
InChIKeyVZLPWDVCFVWFDN-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.56
Rot. Bonds7

About 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 56525211) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID56525211
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN1CCCc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H25N3O3S2/c1-27-19-11-4-3-8-17(19)21-20(24)12-14-23-13-6-7-15-16(22-28(2,25)26)9-5-10-18(15)23/h3-5,8-11,22H,6-7,12-14H2,1-2H3,(H,21,24)
InChIKeyVZLPWDVCFVWFDN-UHFFFAOYSA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide
CID 56525212
4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548756
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519
N-(2-methylsulfanylphenyl)-3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)propanamide
CID 55625846
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109035047
N-(2-methylsulfanylphenyl)-3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)propanamide
CID 55482439
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 109035071
1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598487
ethyl 4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 24588656
N,N-dimethyl-4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxamide
CID 55682674
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 47056365

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide (CID 56525211) is 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCN1CCCc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is VZLPWDVCFVWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-27-19-11-4-3-8-17(19)21-20(24)12-14-23-13-6-7-15-16(22-28(2,25)26)9-5-10-18(15)23/h3-5,8-11,22H,6-7,12-14H2,1-2H3,(H,21,24).
What are the key properties of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 419.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 56525211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).