N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide

C14H22N2O4S — CID 2272160

IUPACN-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-5-7-13(8-6-12)16(21(3,18)19)11-14(17)15-9-4-10-20-2/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyKJPADDYAYDOYTJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.91
Rot. Bonds8

About N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide

N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 2272160) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
PubChem CID2272160
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-5-7-13(8-6-12)16(21(3,18)19)11-14(17)15-9-4-10-20-2/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyKJPADDYAYDOYTJ-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
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

2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 9172892
2-(2-bromo-4-methyl-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 113156490
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
CID 2219429
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyethyl)acetamide
CID 30257475
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217353
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30253980
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219444
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 94848393

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide (CID 2272160) is N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide is COCCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is KJPADDYAYDOYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12-5-7-13(8-6-12)16(21(3,18)19)11-14(17)15-9-4-10-20-2/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2272160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).