2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide

C20H30N2O5S — CID 131669580

IUPAC2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide
SMILESCOCC(=O)NC1CCCCC12CN(Cc1cccc(S(C)(=O)=O)c1)CCO2
InChIInChI=1S/C20H30N2O5S/c1-26-14-19(23)21-18-8-3-4-9-20(18)15-22(10-11-27-20)13-16-6-5-7-17(12-16)28(2,24)25/h5-7,12,18H,3-4,8-11,13-15H2,1-2H3,(H,21,23)
InChIKeyALQWQVWBSOOGJP-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.37
Rot. Bonds6

About 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide

2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide (PubChem CID 131669580) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide
PubChem CID131669580
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide
SMILESCOCC(=O)NC1CCCCC12CN(Cc1cccc(S(C)(=O)=O)c1)CCO2
InChIInChI=1S/C20H30N2O5S/c1-26-14-19(23)21-18-8-3-4-9-20(18)15-22(10-11-27-20)13-16-6-5-7-17(12-16)28(2,24)25/h5-7,12,18H,3-4,8-11,13-15H2,1-2H3,(H,21,23)
InChIKeyALQWQVWBSOOGJP-UHFFFAOYSA-N
XLogP1.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide (CID 131669580) is 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide is COCC(=O)NC1CCCCC12CN(Cc1cccc(S(C)(=O)=O)c1)CCO2.
What is the InChIKey of 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide?
The InChIKey is ALQWQVWBSOOGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-26-14-19(23)21-18-8-3-4-9-20(18)15-22(10-11-27-20)13-16-6-5-7-17(12-16)28(2,24)25/h5-7,12,18H,3-4,8-11,13-15H2,1-2H3,(H,21,23).
What are the key properties of 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide?
2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(3-methylsulfonylphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-11-yl]acetamide is sourced from PubChem (CID 131669580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).