N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C22H29NO4S — CID 71810744

IUPACN-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)(OC)c1ccccc1
InChIInChI=1S/C22H29NO4S/c1-5-22(27-4,19-9-7-6-8-10-19)16-23-21(24)15-18-11-13-20(14-12-18)28(25,26)17(2)3/h6-14,17H,5,15-16H2,1-4H3,(H,23,24)
InChIKeyXCVLKPCHXFODAL-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.48
Rot. Bonds9

About N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71810744) has the molecular formula C22H29NO4S and a molecular weight of 403.54 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71810744
Molecular FormulaC22H29NO4S
Molecular Weight403.54 g/mol
Exact Mass403.18
IUPAC NameN-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)(OC)c1ccccc1
InChIInChI=1S/C22H29NO4S/c1-5-22(27-4,19-9-7-6-8-10-19)16-23-21(24)15-18-11-13-20(14-12-18)28(25,26)17(2)3/h6-14,17H,5,15-16H2,1-4H3,(H,23,24)
InChIKeyXCVLKPCHXFODAL-UHFFFAOYSA-N
XLogP3.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71810744) is N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CCC(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is XCVLKPCHXFODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4S/c1-5-22(27-4,19-9-7-6-8-10-19)16-23-21(24)15-18-11-13-20(14-12-18)28(25,26)17(2)3/h6-14,17H,5,15-16H2,1-4H3,(H,23,24).
What are the key properties of N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 403.54 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71810744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).