N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

C34H38N2O8S — CID 6668431

IUPACN-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3cccc4c3Cc3ccccc3-4)C=C(C(=O)N3CCOCC3)O2)cc1
InChIInChI=1S/C34H38N2O8S/c1-41-26-9-11-27(12-10-26)45(39,40)36(13-17-37)16-20-43-33-23-25(22-32(44-33)34(38)35-14-18-42-19-15-35)29-7-4-8-30-28-6-3-2-5-24(28)21-31(29)30/h2-12,22,25,33,37H,13-21,23H2,1H3/t25-,33+/m0/s1
InChIKeyMSWJKGSFWQXDQL-OGVWKLGRSA-N
MW634.75 g/mol
LogP3.54
Rot. Bonds11

About N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide (PubChem CID 6668431) has the molecular formula C34H38N2O8S and a molecular weight of 634.75 g/mol. Its IUPAC name is N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
PubChem CID6668431
Molecular FormulaC34H38N2O8S
Molecular Weight634.75 g/mol
Exact Mass634.23
IUPAC NameN-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3cccc4c3Cc3ccccc3-4)C=C(C(=O)N3CCOCC3)O2)cc1
InChIInChI=1S/C34H38N2O8S/c1-41-26-9-11-27(12-10-26)45(39,40)36(13-17-37)16-20-43-33-23-25(22-32(44-33)34(38)35-14-18-42-19-15-35)29-7-4-8-30-28-6-3-2-5-24(28)21-31(29)30/h2-12,22,25,33,37H,13-21,23H2,1H3/t25-,33+/m0/s1
InChIKeyMSWJKGSFWQXDQL-OGVWKLGRSA-N
XLogP3.54
TPSA114.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide 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-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide (CID 6668431) is N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3cccc4c3Cc3ccccc3-4)C=C(C(=O)N3CCOCC3)O2)cc1.
What is the InChIKey of N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
The InChIKey is MSWJKGSFWQXDQL-OGVWKLGRSA-N. The full InChI is InChI=1S/C34H38N2O8S/c1-41-26-9-11-27(12-10-26)45(39,40)36(13-17-37)16-20-43-33-23-25(22-32(44-33)34(38)35-14-18-42-19-15-35)29-7-4-8-30-28-6-3-2-5-24(28)21-31(29)30/h2-12,22,25,33,37H,13-21,23H2,1H3/t25-,33+/m0/s1.
What are the key properties of N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide has a molecular weight of 634.75 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R,4R)-4-(9H-fluoren-1-yl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 6668431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).