4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

C25H27N3O3S — CID 30388395

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C25H27N3O3S/c1-27(32(2,30)31)23-10-5-9-22(17-23)26-25(29)21-14-12-19(13-15-21)18-28-16-6-8-20-7-3-4-11-24(20)28/h3-5,7,9-15,17H,6,8,16,18H2,1-2H3,(H,26,29)
InChIKeyRBWCJRDYFXKGGI-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.29
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 30388395) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID30388395
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C25H27N3O3S/c1-27(32(2,30)31)23-10-5-9-22(17-23)26-25(29)21-14-12-19(13-15-21)18-28-16-6-8-20-7-3-4-11-24(20)28/h3-5,7,9-15,17H,6,8,16,18H2,1-2H3,(H,26,29)
InChIKeyRBWCJRDYFXKGGI-UHFFFAOYSA-N
XLogP4.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 38009605
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2193952
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 30388395) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is CN(c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1)S(C)(=O)=O.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is RBWCJRDYFXKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-27(32(2,30)31)23-10-5-9-22(17-23)26-25(29)21-14-12-19(13-15-21)18-28-16-6-8-20-7-3-4-11-24(20)28/h3-5,7,9-15,17H,6,8,16,18H2,1-2H3,(H,26,29).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 449.58 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 30388395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).