2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C24H33N3O5S — CID 4967432

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O5S/c1-18(26(2)17-19-8-11-21(31-3)16-23(19)32-4)24(28)25-20-9-12-22(13-10-20)33(29,30)27-14-6-5-7-15-27/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,28)
InChIKeyUUIIBSUSOSGLFG-UHFFFAOYSA-N
MW475.61 g/mol
LogP3.34
Rot. Bonds9

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 4967432) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID4967432
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O5S/c1-18(26(2)17-19-8-11-21(31-3)16-23(19)32-4)24(28)25-20-9-12-22(13-10-20)33(29,30)27-14-6-5-7-15-27/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,28)
InChIKeyUUIIBSUSOSGLFG-UHFFFAOYSA-N
XLogP3.34
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 4967432) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(CN(C)C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is UUIIBSUSOSGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-18(26(2)17-19-8-11-21(31-3)16-23(19)32-4)24(28)25-20-9-12-22(13-10-20)33(29,30)27-14-6-5-7-15-27/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,28).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 475.61 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).