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

C25H27N3O3S — CID 56525212

IUPAC3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2CCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O3S/c1-32(30,31)27-23-14-7-15-24-21(23)12-8-17-28(24)18-16-25(29)26-22-13-6-5-11-20(22)19-9-3-2-4-10-19/h2-7,9-11,13-15,27H,8,12,16-18H2,1H3,(H,26,29)
InChIKeyVOYPEYXTQHFKLV-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.51
Rot. Bonds7

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

3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 56525212) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID56525212
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2CCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O3S/c1-32(30,31)27-23-14-7-15-24-21(23)12-8-17-28(24)18-16-25(29)26-22-13-6-5-11-20(22)19-9-3-2-4-10-19/h2-7,9-11,13-15,27H,8,12,16-18H2,1H3,(H,26,29)
InChIKeyVOYPEYXTQHFKLV-UHFFFAOYSA-N
XLogP4.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 56525211
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
3-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30099813
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109035047
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 47056365
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24588851
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
CID 17488541
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-phenylphenyl)propanamide
CID 24596314
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 55345448

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide (CID 56525212) is 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide is CS(=O)(=O)Nc1cccc2c1CCCN2CCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is VOYPEYXTQHFKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-32(30,31)27-23-14-7-15-24-21(23)12-8-17-28(24)18-16-25(29)26-22-13-6-5-11-20(22)19-9-3-2-4-10-19/h2-7,9-11,13-15,27H,8,12,16-18H2,1H3,(H,26,29).
What are the key properties of 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide?
3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 449.58 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 56525212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).