(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide

C18H22N2O5S — CID 86624467

IUPAC(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide
SMILESCCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H22N2O5S/c1-2-12-25-15-8-10-16(11-9-15)26(23,24)20-17(18(21)19-22)13-14-6-4-3-5-7-14/h3-11,17,20,22H,2,12-13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyXDRMRMIPQTVLMG-QGZVFWFLSA-N
MW378.45 g/mol
LogP1.87
Rot. Bonds9

About (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide

(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide (PubChem CID 86624467) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide
PubChem CID86624467
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide
SMILESCCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H22N2O5S/c1-2-12-25-15-8-10-16(11-9-15)26(23,24)20-17(18(21)19-22)13-14-6-4-3-5-7-14/h3-11,17,20,22H,2,12-13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyXDRMRMIPQTVLMG-QGZVFWFLSA-N
XLogP1.87
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144497
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 30167342
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382
2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 43889138
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891448

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide (CID 86624467) is (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide is CCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide?
The InChIKey is XDRMRMIPQTVLMG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-12-25-15-8-10-16(11-9-15)26(23,24)20-17(18(21)19-22)13-14-6-4-3-5-7-14/h3-11,17,20,22H,2,12-13H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide?
(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 86624467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).