N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide

C19H23NO4S — CID 75870195

IUPACN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCOc1ccccc1
InChIInChI=1S/C19H23NO4S/c1-15(16-9-11-18(12-10-16)25(3,22)23)20(2)19(21)13-14-24-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyHDJUMZXVGICDTP-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.08
Rot. Bonds7

About N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide (PubChem CID 75870195) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
PubChem CID75870195
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCOc1ccccc1
InChIInChI=1S/C19H23NO4S/c1-15(16-9-11-18(12-10-16)25(3,22)23)20(2)19(21)13-14-24-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyHDJUMZXVGICDTP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
2-[methyl-[3-(4-methylsulfonylphenoxy)propanoyl]amino]propanoic acid
CID 119358763
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
N-methyl-4-(4-methylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 94815849
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 55578046
1-methyl-3-[2-(3-methylphenoxy)ethyl]-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 38213707
2-[methyl-[2-(4-methylsulfonylphenoxy)ethyl]amino]propanoic acid
CID 119913162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide (CID 75870195) is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCOc1ccccc1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide?
The InChIKey is HDJUMZXVGICDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-15(16-9-11-18(12-10-16)25(3,22)23)20(2)19(21)13-14-24-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide?
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide has a molecular weight of 361.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 75870195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).