2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C22H28N2O5S — CID 2962989

IUPAC2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)Cc2ccccc2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-17-13-20(10-11-21(17)28-2)30(26,27)24(15-18-7-4-3-5-8-18)16-22(25)23-14-19-9-6-12-29-19/h3-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-2H3,(H,23,25)
InChIKeyFVDVHJCSNMHGNK-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.49
Rot. Bonds9

About 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2962989) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2962989
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)Cc2ccccc2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-17-13-20(10-11-21(17)28-2)30(26,27)24(15-18-7-4-3-5-8-18)16-22(25)23-14-19-9-6-12-29-19/h3-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-2H3,(H,23,25)
InChIKeyFVDVHJCSNMHGNK-UHFFFAOYSA-N
XLogP2.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 2962989) is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)Cc2ccccc2)cc1C.
What is the InChIKey of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FVDVHJCSNMHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-17-13-20(10-11-21(17)28-2)30(26,27)24(15-18-7-4-3-5-8-18)16-22(25)23-14-19-9-6-12-29-19/h3-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 432.54 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2962989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).