(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide

C21H27N3O6S — CID 25102050

IUPAC(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
SMILESCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyQHHHTEGVVKPDKH-HXUWFJFHSA-N
MW449.53 g/mol
LogP2.08
Rot. Bonds10

About (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide

(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide (PubChem CID 25102050) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide.

Molecular Properties

Compound Name(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
PubChem CID25102050
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
SMILESCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyQHHHTEGVVKPDKH-HXUWFJFHSA-N
XLogP2.08
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Arp 101
CID 11292680
Arp-100
CID 10044321
(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
CID 25102048
(S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hydroxy-4-methylsulfanyl-butyramide
CID 44291532
N-hydroxy-2-(N-isopropoxy-4''-isopropylbiphenyl-4-ylsulfonamido)-3-methylbutanamide
CID 45268787
(R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hydroxybutanamide
CID 45380190
(R)-N-Hydroxy-2-(N-isopropoxy-[1,1'-biphenyl]-4-sulfonamido)-3-methylbutanamide
CID 24868315
N-[(3R)-4-(hydroxyamino)-4-oxo-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl]benzamide
CID 25102047
(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
CID 25102051
(2S)-2-[([1,1'-Biphenyl]-4-ylsulfonyl)(1-methylethoxy)amino]-N-hydroxy-3-methylbutanamide
CID 44389560
1-[(4-methylphenyl)sulfonyl]-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]propan-2-yl}piperidine-4-carboxamide
CID 5389631
N-(4-Biphenylsulfonyl)-N-hydroxycarbonylmethyl-D-valinehydroxamicAcid
CID 25178357

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The IUPAC name of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide (CID 25102050) is (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide.
What is the SMILES notation for (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The canonical SMILES for (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide is CC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The InChIKey is QHHHTEGVVKPDKH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide has a molecular weight of 449.53 g/mol, XLogP of 2.08, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide is sourced from PubChem (CID 25102050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).