(2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

C14H21N5O5S — CID 73292708

IUPAC(2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(CCN=[N+]=[N-])[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C14H21N5O5S/c1-10(2)13(14(20)17-21)19(9-8-16-18-15)25(22,23)12-6-4-11(24-3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyOPJBQWSZZMIIHX-CYBMUJFWSA-N
MW371.42 g/mol
LogP1.53
Rot. Bonds9

About (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 73292708) has the molecular formula C14H21N5O5S and a molecular weight of 371.42 g/mol. Its IUPAC name is (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID73292708
Molecular FormulaC14H21N5O5S
Molecular Weight371.42 g/mol
Exact Mass371.13
IUPAC Name(2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(CCN=[N+]=[N-])[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C14H21N5O5S/c1-10(2)13(14(20)17-21)19(9-8-16-18-15)25(22,23)12-6-4-11(24-3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyOPJBQWSZZMIIHX-CYBMUJFWSA-N
XLogP1.53
TPSA144.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 73292708) is (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is COc1ccc(S(=O)(=O)N(CCN=[N+]=[N-])[C@@H](C(=O)NO)C(C)C)cc1.
What is the InChIKey of (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is OPJBQWSZZMIIHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N5O5S/c1-10(2)13(14(20)17-21)19(9-8-16-18-15)25(22,23)12-6-4-11(24-3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 371.42 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-azidoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73292708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).