N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C25H33N3O5S — CID 26292496

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c(OC)c1
InChIInChI=1S/C25H33N3O5S/c1-5-9-19-10-13-23(24(16-19)32-4)33-18-25(29)26-21-17-20(11-12-22(21)27(2)3)34(30,31)28-14-7-6-8-15-28/h5,10-13,16-17H,1,6-9,14-15,18H2,2-4H3,(H,26,29)
InChIKeyDXJHDOVVICIFIY-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.68
Rot. Bonds10

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 26292496) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID26292496
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c(OC)c1
InChIInChI=1S/C25H33N3O5S/c1-5-9-19-10-13-23(24(16-19)32-4)33-18-25(29)26-21-17-20(11-12-22(21)27(2)3)34(30,31)28-14-7-6-8-15-28/h5,10-13,16-17H,1,6-9,14-15,18H2,2-4H3,(H,26,29)
InChIKeyDXJHDOVVICIFIY-UHFFFAOYSA-N
XLogP3.68
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26065871
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 26292496) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c(OC)c1.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is DXJHDOVVICIFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-5-9-19-10-13-23(24(16-19)32-4)33-18-25(29)26-21-17-20(11-12-22(21)27(2)3)34(30,31)28-14-7-6-8-15-28/h5,10-13,16-17H,1,6-9,14-15,18H2,2-4H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 487.62 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 26292496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).