N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C22H29NO4S — CID 97428604

IUPACN-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC[C@@](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)/t22-/m0/s1
InChIKeyXCVLKPCHXFODAL-QFIPXVFZSA-N
MW403.54 g/mol
LogP3.48
Rot. Bonds9

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

N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 97428604) has the molecular formula C22H29NO4S and a molecular weight of 403.54 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID97428604
Molecular FormulaC22H29NO4S
Molecular Weight403.54 g/mol
Exact Mass403.18
IUPAC NameN-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC[C@@](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)/t22-/m0/s1
InChIKeyXCVLKPCHXFODAL-QFIPXVFZSA-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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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 56765470
N-(2-(3-fluorophenyl)-2-methoxyethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 73168410
3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599180
N-[(R)-2-methoxy-2-phenylbutyl](p-fluorophenylthio)acetamide
CID 97428592
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]3-(phenylthio)propionamide
CID 97553403
N-(2-hydroxy-2-phenylpropyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765368
N-(2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 71782060
N-(2-(2-chlorophenyl)-2-methoxyethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 76149832
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 91631322
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-(phenylsulfonyl)propionamide
CID 97553626
N-[(R)-2-methoxy-2-(m-methoxyphenyl)ethyl][p-(isopropylsulfonyl)phenyl]acetamide
CID 97553733
3-(p-mesylphenyl)-1-[(R)-2-phenyl-4-morpholinyl]-1-propanone
CID 100698965

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 97428604) is N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC[C@@](CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)(OC)c1ccccc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is XCVLKPCHXFODAL-QFIPXVFZSA-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)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(2R)-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-[(2R)-2-methoxy-2-phenylbutyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 97428604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).