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

C19H24N2O4S — CID 113140448

IUPAC3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
SMILESCOc1cccc(CCN(CCC(=O)Nc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-6-7-16(15-18)11-13-21(26(2,23)24)14-12-19(22)20-17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,20,22)
InChIKeyTUITYJYMNOLHTC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.53
Rot. Bonds9

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

3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide (PubChem CID 113140448) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
PubChem CID113140448
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
SMILESCOc1cccc(CCN(CCC(=O)Nc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-6-7-16(15-18)11-13-21(26(2,23)24)14-12-19(22)20-17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,20,22)
InChIKeyTUITYJYMNOLHTC-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152253
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113140433
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide (CID 113140448) is 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide is COc1cccc(CCN(CCC(=O)Nc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide?
The InChIKey is TUITYJYMNOLHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-18-10-6-7-16(15-18)11-13-21(26(2,23)24)14-12-19(22)20-17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,20,22).
What are the key properties of 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide?
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide has a molecular weight of 376.48 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide is sourced from PubChem (CID 113140448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).