(2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide

C24H28N2O6S — CID 173304207

IUPAC(2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide
SMILESCc1ccc(C#Cc2ccc(S(=O)(=O)N(CCOC(C)(C)C)[C@@H](C=O)C(=O)NO)cc2)cc1
InChIInChI=1S/C24H28N2O6S/c1-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)33(30,31)26(15-16-32-24(2,3)4)22(17-27)23(28)25-29/h5-8,11-14,17,22,29H,15-16H2,1-4H3,(H,25,28)/t22-/m0/s1
InChIKeyKQUWIRLIOANABE-QFIPXVFZSA-N
MW472.56 g/mol
LogP2.27
Rot. Bonds8

About (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide

(2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide (PubChem CID 173304207) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide
PubChem CID173304207
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name(2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide
SMILESCc1ccc(C#Cc2ccc(S(=O)(=O)N(CCOC(C)(C)C)[C@@H](C=O)C(=O)NO)cc2)cc1
InChIInChI=1S/C24H28N2O6S/c1-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)33(30,31)26(15-16-32-24(2,3)4)22(17-27)23(28)25-29/h5-8,11-14,17,22,29H,15-16H2,1-4H3,(H,25,28)/t22-/m0/s1
InChIKeyKQUWIRLIOANABE-QFIPXVFZSA-N
XLogP2.27
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-hydroxy-2-[methyl-(4-pent-1-ynylphenyl)sulfonylamino]-3-oxopropanamide
CID 173304278
tert-butyl (2R)-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 67588363
methyl (2R)-2-[methyl-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]propanoate
CID 67588444
(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
tert-butyl N-(4-methylphenyl)sulfonyl-N-(propan-2-ylamino)carbamate
CID 15455853
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
tert-butyl (E)-5-[[(2S)-1-bromo-3-methylbutan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate
CID 11306016
N-[4-(4-methoxyphenyl)but-3-ynyl]-4-methyl-N-(2-methyl-3-oxopropyl)benzenesulfonamide
CID 177461493
tert-butyl N-(3,3-dimethylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 177466380
ditert-butyl (2R)-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]pentanedioate
CID 67589850
tert-butyl (E)-5-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate
CID 11269091
methyl (2S)-2-[but-2-ynyl-(4-methylphenyl)sulfonylamino]but-3-enoate
CID 44521580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide?
The IUPAC name of (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide (CID 173304207) is (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide is Cc1ccc(C#Cc2ccc(S(=O)(=O)N(CCOC(C)(C)C)[C@@H](C=O)C(=O)NO)cc2)cc1.
What is the InChIKey of (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide?
The InChIKey is KQUWIRLIOANABE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)33(30,31)26(15-16-32-24(2,3)4)22(17-27)23(28)25-29/h5-8,11-14,17,22,29H,15-16H2,1-4H3,(H,25,28)/t22-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide?
(2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide has a molecular weight of 472.56 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-3-oxopropanamide is sourced from PubChem (CID 173304207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).