2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide

C16H22N2O5S2 — CID 10271493

IUPAC2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide
SMILESCC#CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)C(C)SC)cc1
InChIInChI=1S/C16H22N2O5S2/c1-5-6-11-23-13-7-9-14(10-8-13)25(21,22)18(3)15(12(2)24-4)16(19)17-20/h7-10,12,15,20H,11H2,1-4H3,(H,17,19)
InChIKeyZWIIJPVAUFMXPV-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.33
Rot. Bonds8

About 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide

2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide (PubChem CID 10271493) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide
PubChem CID10271493
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide
SMILESCC#CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)C(C)SC)cc1
InChIInChI=1S/C16H22N2O5S2/c1-5-6-11-23-13-7-9-14(10-8-13)25(21,22)18(3)15(12(2)24-4)16(19)17-20/h7-10,12,15,20H,11H2,1-4H3,(H,17,19)
InChIKeyZWIIJPVAUFMXPV-UHFFFAOYSA-N
XLogP1.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.33
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide
CID 10222386
4-but-2-ynoxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 18357026
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-[4-[2-(methylamino)ethoxy]phenyl]acetamide
CID 22644781
2-[4-(3-aminopropoxy)phenyl]-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxyacetamide
CID 22644841
2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(diethylamino)but-2-ynyl]amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22644798
(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide
CID 57059644
2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide
CID 10132821
[(4-but-2-ynoxyphenyl)sulfonyl-methylamino] cyclohexanecarboxylate
CID 86587114
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide
CID 10316165
(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
2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide
CID 10268288

Frequently Asked Questions

What is the IUPAC name of 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide?
The IUPAC name of 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide (CID 10271493) is 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide?
The canonical SMILES for 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide is CC#CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)C(C)SC)cc1.
What is the InChIKey of 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide?
The InChIKey is ZWIIJPVAUFMXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-5-6-11-23-13-7-9-14(10-8-13)25(21,22)18(3)15(12(2)24-4)16(19)17-20/h7-10,12,15,20H,11H2,1-4H3,(H,17,19).
What are the key properties of 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide?
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide has a molecular weight of 386.50 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide is sourced from PubChem (CID 10271493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).