N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide

C26H29NO5S — CID 142895489

IUPACN-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)c2ccc(OCCCCc3ccc4ccccc4c3)cc2)CCOCC1
InChIInChI=1S/C26H29NO5S/c28-25(27-29)26(14-17-31-18-15-26)33(30)24-12-10-23(11-13-24)32-16-4-3-5-20-8-9-21-6-1-2-7-22(21)19-20/h1-2,6-13,19,29H,3-5,14-18H2,(H,27,28)
InChIKeyOMVRODOUJYWEIX-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.40
Rot. Bonds9

About N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide

N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide (PubChem CID 142895489) has the molecular formula C26H29NO5S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide
PubChem CID142895489
Molecular FormulaC26H29NO5S
Molecular Weight467.59 g/mol
Exact Mass467.18
IUPAC NameN-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)c2ccc(OCCCCc3ccc4ccccc4c3)cc2)CCOCC1
InChIInChI=1S/C26H29NO5S/c28-25(27-29)26(14-17-31-18-15-26)33(30)24-12-10-23(11-13-24)32-16-4-3-5-20-8-9-21-6-1-2-7-22(21)19-20/h1-2,6-13,19,29H,3-5,14-18H2,(H,27,28)
InChIKeyOMVRODOUJYWEIX-UHFFFAOYSA-N
XLogP4.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide (CID 142895489) is N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide is O=C(NO)C1(S(=O)c2ccc(OCCCCc3ccc4ccccc4c3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide?
The InChIKey is OMVRODOUJYWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5S/c28-25(27-29)26(14-17-31-18-15-26)33(30)24-12-10-23(11-13-24)32-16-4-3-5-20-8-9-21-6-1-2-7-22(21)19-20/h1-2,6-13,19,29H,3-5,14-18H2,(H,27,28).
What are the key properties of N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide?
N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide is sourced from PubChem (CID 142895489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).