N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide

C20H25NO4S — CID 51123622

IUPACN-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H25NO4S/c1-15(2)26(23,24)16(3)20(22)21-13-18-11-7-8-12-19(18)25-14-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,21,22)
InChIKeyJWLFUTNNFXYXFC-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.09
Rot. Bonds8

About N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide

N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 51123622) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID51123622
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H25NO4S/c1-15(2)26(23,24)16(3)20(22)21-13-18-11-7-8-12-19(18)25-14-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,21,22)
InChIKeyJWLFUTNNFXYXFC-UHFFFAOYSA-N
XLogP3.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
CID 119296786
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
CID 60618262
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
2-chloro-N-[(2-phenylmethoxyphenyl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55806149
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 110906004
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide
CID 75461382
N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040886
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide (CID 51123622) is N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)NCc1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is JWLFUTNNFXYXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15(2)26(23,24)16(3)20(22)21-13-18-11-7-8-12-19(18)25-14-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide?
N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 375.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 51123622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).