3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide

C16H26N2O4S — CID 113137715

IUPAC3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-13(2)14-7-5-6-8-15(14)17-16(19)9-10-18(11-12-22-3)23(4,20)21/h5-8,13H,9-12H2,1-4H3,(H,17,19)
InChIKeyHZZAOUAOBXZYGU-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.05
Rot. Bonds9

About 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide

3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113137715) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113137715
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-13(2)14-7-5-6-8-15(14)17-16(19)9-10-18(11-12-22-3)23(4,20)21/h5-8,13H,9-12H2,1-4H3,(H,17,19)
InChIKeyHZZAOUAOBXZYGU-UHFFFAOYSA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113138299
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113149350
2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113148147
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143022
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 113152077
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137918
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide (CID 113137715) is 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide is COCCN(CCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is HZZAOUAOBXZYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13(2)14-7-5-6-8-15(14)17-16(19)9-10-18(11-12-22-3)23(4,20)21/h5-8,13H,9-12H2,1-4H3,(H,17,19).
What are the key properties of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 342.46 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113137715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).