N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide

C34H36N6O4S — CID 44562308

IUPACN-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNS(C)(=O)=O)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C34H36N6O4S/c1-4-44-30-10-7-9-27(19-30)40-23-32(37-33(40)25-14-12-24(2)13-15-25)34(41)39-17-16-38(22-29(39)21-36-45(3,42)43)28-18-26-8-5-6-11-31(26)35-20-28/h5-15,18-20,23,29,36H,4,16-17,21-22H2,1-3H3/t29-/m0/s1
InChIKeyIUJNBXYODGAPRF-LJAQVGFWSA-N
MW624.77 g/mol
LogP4.67
Rot. Bonds9

About N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide

N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide (PubChem CID 44562308) has the molecular formula C34H36N6O4S and a molecular weight of 624.77 g/mol. Its IUPAC name is N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide
PubChem CID44562308
Molecular FormulaC34H36N6O4S
Molecular Weight624.77 g/mol
Exact Mass624.25
IUPAC NameN-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNS(C)(=O)=O)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C34H36N6O4S/c1-4-44-30-10-7-9-27(19-30)40-23-32(37-33(40)25-14-12-24(2)13-15-25)34(41)39-17-16-38(22-29(39)21-36-45(3,42)43)28-18-26-8-5-6-11-31(26)35-20-28/h5-15,18-20,23,29,36H,4,16-17,21-22H2,1-3H3/t29-/m0/s1
InChIKeyIUJNBXYODGAPRF-LJAQVGFWSA-N
XLogP4.67
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.77
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide (CID 44562308) is N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide is CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNS(C)(=O)=O)nc2-c2ccc(C)cc2)c1.
What is the InChIKey of N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide?
The InChIKey is IUJNBXYODGAPRF-LJAQVGFWSA-N. The full InChI is InChI=1S/C34H36N6O4S/c1-4-44-30-10-7-9-27(19-30)40-23-32(37-33(40)25-14-12-24(2)13-15-25)34(41)39-17-16-38(22-29(39)21-36-45(3,42)43)28-18-26-8-5-6-11-31(26)35-20-28/h5-15,18-20,23,29,36H,4,16-17,21-22H2,1-3H3/t29-/m0/s1.
What are the key properties of N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide?
N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 624.77 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 44562308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).