N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide

C19H23NO4S — CID 55733109

IUPACN-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C19H23NO4S/c1-15(2)20(13-16-8-5-4-6-9-16)19(21)14-24-17-10-7-11-18(12-17)25(3,22)23/h4-12,15H,13-14H2,1-3H3
InChIKeyFCSHUMSHCVDFLR-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.91
Rot. Bonds7

About N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide

N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide (PubChem CID 55733109) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
PubChem CID55733109
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C19H23NO4S/c1-15(2)20(13-16-8-5-4-6-9-16)19(21)14-24-17-10-7-11-18(12-17)25(3,22)23/h4-12,15H,13-14H2,1-3H3
InChIKeyFCSHUMSHCVDFLR-UHFFFAOYSA-N
XLogP2.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propan-2-ylacetamide
CID 112995071
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647121
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
CID 2511443
(3-methylsulfonylphenyl) 2-methyl-3-phenylpropanoate
CID 174937203
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
N-(2-cyanoethyl)-N-methyl-2-(3-methylsulfonylphenoxy)acetamide
CID 43803923
2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353229
1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612917
N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55632381
2-[3-[benzenesulfonyl(benzyl)amino]phenoxy]acetic acid
CID 54481093
(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol
CID 167872482
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2419733

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide (CID 55733109) is N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)COc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is FCSHUMSHCVDFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-15(2)20(13-16-8-5-4-6-9-16)19(21)14-24-17-10-7-11-18(12-17)25(3,22)23/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide?
N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 361.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 55733109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).