N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide

C25H25N3O4S — CID 27605044

IUPACN-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-24(29)26-20-12-14-22(15-13-20)33(31,32)27-21-11-10-18-9-6-16-28(23(18)17-21)25(30)19-7-4-3-5-8-19/h3-5,7-8,10-15,17,27H,2,6,9,16H2,1H3,(H,26,29)
InChIKeyMUFSMWVFYMGSRG-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide

N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide (PubChem CID 27605044) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
PubChem CID27605044
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-24(29)26-20-12-14-22(15-13-20)33(31,32)27-21-11-10-18-9-6-16-28(23(18)17-21)25(30)19-7-4-3-5-8-19/h3-5,7-8,10-15,17,27H,2,6,9,16H2,1H3,(H,26,29)
InChIKeyMUFSMWVFYMGSRG-UHFFFAOYSA-N
XLogP4.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide with MolForge

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
CID 42448544
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 27476815
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 154934397
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide (CID 27605044) is N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1.
What is the InChIKey of N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is MUFSMWVFYMGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-2-24(29)26-20-12-14-22(15-13-20)33(31,32)27-21-11-10-18-9-6-16-28(23(18)17-21)25(30)19-7-4-3-5-8-19/h3-5,7-8,10-15,17,27H,2,6,9,16H2,1H3,(H,26,29).
What are the key properties of N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide?
N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 463.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 27605044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).