(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide

C23H32N2O5S — CID 28542046

IUPAC(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C23H32N2O5S/c1-17(2)30-14-8-13-24-23(26)21(16-19-9-6-5-7-10-19)25-31(27,28)20-11-12-22(29-4)18(3)15-20/h5-7,9-12,15,17,21,25H,8,13-14,16H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyOHDKAUUIEXSQAX-OAQYLSRUSA-N
MW448.59 g/mol
LogP2.82
Rot. Bonds12

About (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide

(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 28542046) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID28542046
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C23H32N2O5S/c1-17(2)30-14-8-13-24-23(26)21(16-19-9-6-5-7-10-19)25-31(27,28)20-11-12-22(29-4)18(3)15-20/h5-7,9-12,15,17,21,25H,8,13-14,16H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyOHDKAUUIEXSQAX-OAQYLSRUSA-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'}

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Related Compounds

(2S)-N-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541468
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
(2R)-N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541703
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541476
(2S)-N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541491
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404331
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 43870976
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 43870750
(2S)-N-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541743
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28541662

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide (CID 28542046) is (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide is COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1C.
What is the InChIKey of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is OHDKAUUIEXSQAX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-17(2)30-14-8-13-24-23(26)21(16-19-9-6-5-7-10-19)25-31(27,28)20-11-12-22(29-4)18(3)15-20/h5-7,9-12,15,17,21,25H,8,13-14,16H2,1-4H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
(2R)-2-[(4-methoxy-3-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 (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 28542046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).