3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide

C20H26N2O4S — CID 113140488

IUPAC3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide
SMILESCOc1ccc(CCN(CCC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-21(18-7-5-4-6-8-18)20(23)14-16-22(27(3,24)25)15-13-17-9-11-19(26-2)12-10-17/h4-12H,13-16H2,1-3H3
InChIKeySGMQNAGWSHJYIB-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.55
Rot. Bonds9

About 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide

3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide (PubChem CID 113140488) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide
PubChem CID113140488
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide
SMILESCOc1ccc(CCN(CCC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-21(18-7-5-4-6-8-18)20(23)14-16-22(27(3,24)25)15-13-17-9-11-19(26-2)12-10-17/h4-12H,13-16H2,1-3H3
InChIKeySGMQNAGWSHJYIB-UHFFFAOYSA-N
XLogP2.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
CID 113152304
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140479
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
CID 109022468
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 107735768
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
3-(4-methoxyphenyl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009451
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide (CID 113140488) is 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide is COc1ccc(CCN(CCC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide?
The InChIKey is SGMQNAGWSHJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-21(18-7-5-4-6-8-18)20(23)14-16-22(27(3,24)25)15-13-17-9-11-19(26-2)12-10-17/h4-12H,13-16H2,1-3H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide?
3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide has a molecular weight of 390.51 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 113140488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).