2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide

C15H24N2O4S — CID 113149442

IUPAC2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCOCCCN(CC(=O)NCc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-13-6-4-7-14(10-13)11-16-15(18)12-17(22(3,19)20)8-5-9-21-2/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,16,18)
InChIKeyBXZMFHRLWIOVJK-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.91
Rot. Bonds9

About 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide

2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 113149442) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID113149442
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCOCCCN(CC(=O)NCc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-13-6-4-7-14(10-13)11-16-15(18)12-17(22(3,19)20)8-5-9-21-2/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,16,18)
InChIKeyBXZMFHRLWIOVJK-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138863
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138877
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide (CID 113149442) is 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide is COCCCN(CC(=O)NCc1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is BXZMFHRLWIOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-13-6-4-7-14(10-13)11-16-15(18)12-17(22(3,19)20)8-5-9-21-2/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,16,18).
What are the key properties of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 328.43 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113149442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).