N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide

C28H35N3O5S — CID 10186544

IUPACN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCN(C(C)C)C3)cc2)c2ccccc2n1
InChIInChI=1S/C28H35N3O5S/c1-20(2)31-14-6-13-28(18-31,16-27(32)30-33)19-37(34,35)24-11-9-23(10-12-24)36-17-22-15-21(3)29-26-8-5-4-7-25(22)26/h4-5,7-12,15,20,33H,6,13-14,16-19H2,1-3H3,(H,30,32)
InChIKeySUTQJRNQIINAFC-UHFFFAOYSA-N
MW525.67 g/mol
LogP4.28
Rot. Bonds9

About N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide

N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide (PubChem CID 10186544) has the molecular formula C28H35N3O5S and a molecular weight of 525.67 g/mol. Its IUPAC name is N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide
PubChem CID10186544
Molecular FormulaC28H35N3O5S
Molecular Weight525.67 g/mol
Exact Mass525.23
IUPAC NameN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCN(C(C)C)C3)cc2)c2ccccc2n1
InChIInChI=1S/C28H35N3O5S/c1-20(2)31-14-6-13-28(18-31,16-27(32)30-33)19-37(34,35)24-11-9-23(10-12-24)36-17-22-15-21(3)29-26-8-5-4-7-25(22)26/h4-5,7-12,15,20,33H,6,13-14,16-19H2,1-3H3,(H,30,32)
InChIKeySUTQJRNQIINAFC-UHFFFAOYSA-N
XLogP4.28
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide (CID 10186544) is N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide is Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCN(C(C)C)C3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide?
The InChIKey is SUTQJRNQIINAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5S/c1-20(2)31-14-6-13-28(18-31,16-27(32)30-33)19-37(34,35)24-11-9-23(10-12-24)36-17-22-15-21(3)29-26-8-5-4-7-25(22)26/h4-5,7-12,15,20,33H,6,13-14,16-19H2,1-3H3,(H,30,32).
What are the key properties of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide?
N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide has a molecular weight of 525.67 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 10186544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).