2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide

C23H32N2O5S — CID 43871126

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCCOC(C)C
InChIInChI=1S/C23H32N2O5S/c1-17(2)30-14-8-13-24-23(26)20(16-19-9-6-5-7-10-19)25-31(27,28)22-15-18(3)11-12-21(22)29-4/h5-7,9-12,15,17,20,25H,8,13-14,16H2,1-4H3,(H,24,26)
InChIKeyZVJJYPWDKVXHIU-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.82
Rot. Bonds12

About 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide

2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 43871126) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID43871126
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCCOC(C)C
InChIInChI=1S/C23H32N2O5S/c1-17(2)30-14-8-13-24-23(26)20(16-19-9-6-5-7-10-19)25-31(27,28)22-15-18(3)11-12-21(22)29-4/h5-7,9-12,15,17,20,25H,8,13-14,16H2,1-4H3,(H,24,26)
InChIKeyZVJJYPWDKVXHIU-UHFFFAOYSA-N
XLogP2.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide 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-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 28542046
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 28540451
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 43871158
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28539840
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687
(2R)-N-(2,6-diethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540304
(2S)-N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540372

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide (CID 43871126) is 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide is COc1ccc(C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCCOC(C)C.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is ZVJJYPWDKVXHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-17(2)30-14-8-13-24-23(26)20(16-19-9-6-5-7-10-19)25-31(27,28)22-15-18(3)11-12-21(22)29-4/h5-7,9-12,15,17,20,25H,8,13-14,16H2,1-4H3,(H,24,26).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 448.59 g/mol, XLogP of 2.82, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 43871126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).