2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide

C15H24N2O4S — CID 113152184

IUPAC2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
SMILESCOc1cccc(CCN(CC(=O)NC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)16-15(18)11-17(22(4,19)20)9-8-13-6-5-7-14(10-13)21-3/h5-7,10,12H,8-9,11H2,1-4H3,(H,16,18)
InChIKeyFWYARTLOLZSZCR-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.02
Rot. Bonds8

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

2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide (PubChem CID 113152184) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
PubChem CID113152184
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
SMILESCOc1cccc(CCN(CC(=O)NC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)16-15(18)11-17(22(4,19)20)9-8-13-6-5-7-14(10-13)21-3/h5-7,10,12H,8-9,11H2,1-4H3,(H,16,18)
InChIKeyFWYARTLOLZSZCR-UHFFFAOYSA-N
XLogP1.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148476
N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152253
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152263
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706
N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113152194
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 113152203

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide (CID 113152184) is 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide is COc1cccc(CCN(CC(=O)NC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is FWYARTLOLZSZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(2)16-15(18)11-17(22(4,19)20)9-8-13-6-5-7-14(10-13)21-3/h5-7,10,12H,8-9,11H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide?
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 328.43 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113152184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).