2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide

C26H33N3O5S — CID 43017752

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O
InChIInChI=1S/C26H33N3O5S/c1-5-16-34-24-14-12-20-10-8-9-11-22(20)23(24)18-27(4)26(31)19-28-17-21(13-15-25(28)30)35(32,33)29(6-2)7-3/h8-15,17H,5-7,16,18-19H2,1-4H3
InChIKeyFTMIMMBDOBPCIZ-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.48
Rot. Bonds11

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide (PubChem CID 43017752) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
PubChem CID43017752
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O
InChIInChI=1S/C26H33N3O5S/c1-5-16-34-24-14-12-20-10-8-9-11-22(20)23(24)18-27(4)26(31)19-28-17-21(13-15-25(28)30)35(32,33)29(6-2)7-3/h8-15,17H,5-7,16,18-19H2,1-4H3
InChIKeyFTMIMMBDOBPCIZ-UHFFFAOYSA-N
XLogP3.48
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide (CID 43017752) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide is CCCOc1ccc2ccccc2c1CN(C)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is FTMIMMBDOBPCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-5-16-34-24-14-12-20-10-8-9-11-22(20)23(24)18-27(4)26(31)19-28-17-21(13-15-25(28)30)35(32,33)29(6-2)7-3/h8-15,17H,5-7,16,18-19H2,1-4H3.
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 499.63 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 43017752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).