(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide

C18H21N3O5S — CID 45380190

IUPAC(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide
SMILESCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
InChIKeyRLHOCYLKSSHKMW-QGZVFWFLSA-N
MW391.45 g/mol
LogP1.03
Rot. Bonds8

About (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide

(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide (PubChem CID 45380190) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide
PubChem CID45380190
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide
SMILESCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
InChIKeyRLHOCYLKSSHKMW-QGZVFWFLSA-N
XLogP1.03
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.03
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide?
The IUPAC name of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide (CID 45380190) is (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide is CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide?
The InChIKey is RLHOCYLKSSHKMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide?
(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide has a molecular weight of 391.45 g/mol, XLogP of 1.03, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 45380190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).