methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate

C23H24N2O5S — CID 2810084

IUPACmethyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H24N2O5S/c1-16-7-10-22(19-6-4-3-5-18(16)19)31(27,28)24-17-8-9-21(20(15-17)23(26)29-2)25-11-13-30-14-12-25/h3-10,15,24H,11-14H2,1-2H3
InChIKeyJZJWCFBUSSQXPY-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.57
Rot. Bonds5

About methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate

methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate (PubChem CID 2810084) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate
PubChem CID2810084
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Namemethyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H24N2O5S/c1-16-7-10-22(19-6-4-3-5-18(16)19)31(27,28)24-17-8-9-21(20(15-17)23(26)29-2)25-11-13-30-14-12-25/h3-10,15,24H,11-14H2,1-2H3
InChIKeyJZJWCFBUSSQXPY-UHFFFAOYSA-N
XLogP3.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate (CID 2810084) is methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate?
The InChIKey is JZJWCFBUSSQXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16-7-10-22(19-6-4-3-5-18(16)19)31(27,28)24-17-8-9-21(20(15-17)23(26)29-2)25-11-13-30-14-12-25/h3-10,15,24H,11-14H2,1-2H3.
What are the key properties of methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate?
methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate has a molecular weight of 440.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methylnaphthalen-1-yl)sulfonylamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 2810084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).