N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

C15H24N2O4S — CID 113149503

IUPACN-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-12-8-13(2)10-14(9-12)16-15(18)11-17(22(4,19)20)6-5-7-21-3/h8-10H,5-7,11H2,1-4H3,(H,16,18)
InChIKeyNUJOKJNZLFBOOG-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.54
Rot. Bonds8

About N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (PubChem CID 113149503) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
PubChem CID113149503
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-12-8-13(2)10-14(9-12)16-15(18)11-17(22(4,19)20)6-5-7-21-3/h8-10H,5-7,11H2,1-4H3,(H,16,18)
InChIKeyNUJOKJNZLFBOOG-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113148409
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
methyl 3-[[2-[2-methoxyethyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113149369
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113149929
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (CID 113149503) is N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is COCCCN(CC(=O)Nc1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The InChIKey is NUJOKJNZLFBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12-8-13(2)10-14(9-12)16-15(18)11-17(22(4,19)20)6-5-7-21-3/h8-10H,5-7,11H2,1-4H3,(H,16,18).
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide has a molecular weight of 328.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).