N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide

C25H28N2O3S — CID 56764009

IUPACN-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C25H28N2O3S/c1-20(2)31(29,30)24-13-11-22(12-14-24)18-25(28)27(19-23-10-6-7-16-26-23)17-15-21-8-4-3-5-9-21/h3-14,16,20H,15,17-19H2,1-2H3
InChIKeyOCXRHOKIBNNTDT-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.08
Rot. Bonds9

About N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 56764009) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID56764009
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C25H28N2O3S/c1-20(2)31(29,30)24-13-11-22(12-14-24)18-25(28)27(19-23-10-6-7-16-26-23)17-15-21-8-4-3-5-9-21/h3-14,16,20H,15,17-19H2,1-2H3
InChIKeyOCXRHOKIBNNTDT-UHFFFAOYSA-N
XLogP4.08
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10074233
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CID 10254227
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CID 15049708
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CID 22405324
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CID 54576281
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 56764009) is N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)N(CCc2ccccc2)Cc2ccccn2)cc1.
What is the InChIKey of N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OCXRHOKIBNNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-20(2)31(29,30)24-13-11-22(12-14-24)18-25(28)27(19-23-10-6-7-16-26-23)17-15-21-8-4-3-5-9-21/h3-14,16,20H,15,17-19H2,1-2H3.
What are the key properties of N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 56764009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).