2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide

C19H28N2O5S — CID 10222386

IUPAC2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC#CCOc1ccc(S(=O)(=O)N(CC(C)C)C(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C19H28N2O5S/c1-6-7-12-26-16-8-10-17(11-9-16)27(24,25)21(13-14(2)3)18(15(4)5)19(22)20-23/h8-11,14-15,18,23H,12-13H2,1-5H3,(H,20,22)
InChIKeyKNSMBHBDNBZDKJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.27
Rot. Bonds9

About 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide

2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 10222386) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID10222386
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC#CCOc1ccc(S(=O)(=O)N(CC(C)C)C(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C19H28N2O5S/c1-6-7-12-26-16-8-10-17(11-9-16)27(24,25)21(13-14(2)3)18(15(4)5)19(22)20-23/h8-11,14-15,18,23H,12-13H2,1-5H3,(H,20,22)
InChIKeyKNSMBHBDNBZDKJ-UHFFFAOYSA-N
XLogP2.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.27
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(diethylamino)but-2-ynyl]amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22644798
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide
CID 10271493
(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-propylamino]-3-methylbutanoic acid
CID 141027126
methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methylbutanoate
CID 22644706
diethylamino 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methylbutanoate
CID 57206438
(2S)-N-hydroxy-2-[2-methoxypropyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-3-methylbutanamide
CID 87594138
2-[4-(3-aminopropoxy)phenyl]-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxyacetamide
CID 22644841
(2R)-2-[2-aminoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 144510795
3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 22612442
2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 74080477
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-[4-[2-(methylamino)ethoxy]phenyl]acetamide
CID 22644781
2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]acetic acid
CID 25180867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide (CID 10222386) is 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide is CC#CCOc1ccc(S(=O)(=O)N(CC(C)C)C(C(=O)NO)C(C)C)cc1.
What is the InChIKey of 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is KNSMBHBDNBZDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-6-7-12-26-16-8-10-17(11-9-16)27(24,25)21(13-14(2)3)18(15(4)5)19(22)20-23/h8-11,14-15,18,23H,12-13H2,1-5H3,(H,20,22).
What are the key properties of 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide?
2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 396.51 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 10222386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).