2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C22H28N2O4S — CID 4798488

IUPAC2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-16-7-8-18(13-17(16)2)14-22(25)23-19-9-10-20(28-3)21(15-19)29(26,27)24-11-5-4-6-12-24/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,23,25)
InChIKeyRIVNXDNTVQAVDK-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.67
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4798488) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4798488
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-16-7-8-18(13-17(16)2)14-22(25)23-19-9-10-20(28-3)21(15-19)29(26,27)24-11-5-4-6-12-24/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,23,25)
InChIKeyRIVNXDNTVQAVDK-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4798488) is 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RIVNXDNTVQAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-7-8-18(13-17(16)2)14-22(25)23-19-9-10-20(28-3)21(15-19)29(26,27)24-11-5-4-6-12-24/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,23,25).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4798488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).