N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide

C21H23N3O3S2 — CID 162346024

IUPACN-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
SMILESCc1ccc2n(c1=O)[C@@H](Cc1csc(-c3ccccc3)n1)[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C21H23N3O3S2/c1-14-8-9-17-10-11-18(23-29(2,26)27)19(24(17)21(14)25)12-16-13-28-20(22-16)15-6-4-3-5-7-15/h3-9,13,18-19,23H,10-12H2,1-2H3/t18-,19-/m0/s1
InChIKeyGPPLIYMDZQKNSU-OALUTQOASA-N
MW429.57 g/mol
LogP2.93
Rot. Bonds5

About N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide

N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide (PubChem CID 162346024) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
PubChem CID162346024
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC NameN-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
SMILESCc1ccc2n(c1=O)[C@@H](Cc1csc(-c3ccccc3)n1)[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C21H23N3O3S2/c1-14-8-9-17-10-11-18(23-29(2,26)27)19(24(17)21(14)25)12-16-13-28-20(22-16)15-6-4-3-5-7-15/h3-9,13,18-19,23H,10-12H2,1-2H3/t18-,19-/m0/s1
InChIKeyGPPLIYMDZQKNSU-OALUTQOASA-N
XLogP2.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[6-(3,5-difluorophenyl)-2-pyridinyl]methyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167343075
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461982
N-[(3S,4R)-4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387781
N-[(2R,3R)-1-(cyclobutanecarbonyl)-2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461961
N-[7-methyl-4-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387826
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843
N-[4-[(4-tert-butylcyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 167208245
3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid
CID 154960214
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018
N-[(5R,6S)-2,3-dimethyl-4-oxo-5-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanesulfonamide
CID 166790053
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide (CID 162346024) is N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide is Cc1ccc2n(c1=O)[C@@H](Cc1csc(-c3ccccc3)n1)[C@@H](NS(C)(=O)=O)CC2.
What is the InChIKey of N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The InChIKey is GPPLIYMDZQKNSU-OALUTQOASA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-14-8-9-17-10-11-18(23-29(2,26)27)19(24(17)21(14)25)12-16-13-28-20(22-16)15-6-4-3-5-7-15/h3-9,13,18-19,23H,10-12H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide has a molecular weight of 429.57 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-7-methyl-6-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide is sourced from PubChem (CID 162346024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).