N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

C14H22N2O5S — CID 113149534

IUPACN-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O5S/c1-20-10-4-9-16(22(3,18)19)11-14(17)15-12-5-7-13(21-2)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyIECMNNJSLPQELK-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.93
Rot. Bonds9

About N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (PubChem CID 113149534) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
PubChem CID113149534
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O5S/c1-20-10-4-9-16(22(3,18)19)11-14(17)15-12-5-7-13(21-2)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyIECMNNJSLPQELK-UHFFFAOYSA-N
XLogP0.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (CID 113149534) is N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is COCCCN(CC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The InChIKey is IECMNNJSLPQELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-20-10-4-9-16(22(3,18)19)11-14(17)15-12-5-7-13(21-2)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide has a molecular weight of 330.41 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).