N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide

C25H26N2O3S — CID 43990369

IUPACN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)CCc4ccccc4)cc32)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-9-14-23(15-10-19)31(29,30)27-17-5-8-21-12-13-22(18-24(21)27)26-25(28)16-11-20-6-3-2-4-7-20/h2-4,6-7,9-10,12-15,18H,5,8,11,16-17H2,1H3,(H,26,28)
InChIKeySMSAPHUCYYZFOO-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.71
Rot. Bonds6

About N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide

N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide (PubChem CID 43990369) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
PubChem CID43990369
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)CCc4ccccc4)cc32)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-9-14-23(15-10-19)31(29,30)27-17-5-8-21-12-13-22(18-24(21)27)26-25(28)16-11-20-6-3-2-4-7-20/h2-4,6-7,9-10,12-15,18H,5,8,11,16-17H2,1H3,(H,26,28)
InChIKeySMSAPHUCYYZFOO-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
3-chloro-2,2-dimethyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7517776
N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 43990420
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 18578116
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 100796296

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide (CID 43990369) is N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)CCc4ccccc4)cc32)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide?
The InChIKey is SMSAPHUCYYZFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-19-9-14-23(15-10-19)31(29,30)27-17-5-8-21-12-13-22(18-24(21)27)26-25(28)16-11-20-6-3-2-4-7-20/h2-4,6-7,9-10,12-15,18H,5,8,11,16-17H2,1H3,(H,26,28).
What are the key properties of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide?
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide has a molecular weight of 434.56 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide is sourced from PubChem (CID 43990369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).