(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide

C28H33N3O7S — CID 25102197

IUPAC(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc3ccccc3)C(=O)NO)cc2)cc1
InChIInChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1
InChIKeyWVPKYEATTXWJLC-AREMUKBSSA-N
MW555.65 g/mol
LogP3.32
Rot. Bonds13

About (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide

(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide (PubChem CID 25102197) has the molecular formula C28H33N3O7S and a molecular weight of 555.65 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide
PubChem CID25102197
Molecular FormulaC28H33N3O7S
Molecular Weight555.65 g/mol
Exact Mass555.20
IUPAC Name(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc3ccccc3)C(=O)NO)cc2)cc1
InChIInChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1
InChIKeyWVPKYEATTXWJLC-AREMUKBSSA-N
XLogP3.32
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.65
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

(2r)-4-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-Hydroxy-2-{[(4'-Methoxybiphenyl-4-Yl)sulfonyl](Propan-2-Yloxy)amino}butanamide
CID 24936157
[4-(Acetyl-benzyl-amino)-cyclohexyl]-((S)-4''-methoxy-biphenyl-4-sulfonylamino)-acetic acid
CID 10347529
(2R)-4-acetamido-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]butanamide
CID 44634267
benzyl N-[(5R)-5-[benzyl(4-methoxybenzene)sulfonamido]-5-(hydroxycarbamoyl)pentyl]carbamate
CID 11800904
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-3-phenyl-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide
CID 10721454
3-{4-[(isopropylamino)sulfonyl]phenyl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 1006951
N-butan-2-yl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 3625429
3-(4-Methoxyphenyl)-N-(3-methoxypropyl)-3-(4-methylbenzenesulfonamido)propanamide
CID 5045955
(6S,7R,10S)-7-hexyl-6-N-hydroxy-8-oxo-10-N-[2-(4-sulfamoylphenyl)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
CID 10886557
(6S,7R,10S)-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-10-N-[2-(4-sulfamoylphenyl)ethyl]-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
CID 11146249

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide (CID 25102197) is (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide is COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc3ccccc3)C(=O)NO)cc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide?
The InChIKey is WVPKYEATTXWJLC-AREMUKBSSA-N. The full InChI is InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide?
(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide has a molecular weight of 555.65 g/mol, XLogP of 3.32, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 25102197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).