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

C20H27N3O7S2 — CID 25102048

IUPAC(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
SMILESCC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyKUDQLMASLRCXLF-LJQANCHMSA-N
MW485.58 g/mol
LogP1.50
Rot. Bonds11

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

(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide (PubChem CID 25102048) has the molecular formula C20H27N3O7S2 and a molecular weight of 485.58 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
PubChem CID25102048
Molecular FormulaC20H27N3O7S2
Molecular Weight485.58 g/mol
Exact Mass485.13
IUPAC Name(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
SMILESCC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyKUDQLMASLRCXLF-LJQANCHMSA-N
XLogP1.50
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 51.50
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'}

Analyze (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide (CID 25102048) is (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide is CC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The InChIKey is KUDQLMASLRCXLF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide has a molecular weight of 485.58 g/mol, XLogP of 1.50, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide is sourced from PubChem (CID 25102048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).