N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C16H26N2O5S — CID 55408036

IUPACN-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOCCOCCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-14-7-4-5-8-15(14)18(24(3,20)21)13-16(19)17-9-6-10-23-12-11-22-2/h4-5,7-8H,6,9-13H2,1-3H3,(H,17,19)
InChIKeyYDCBQEQJKHOAKV-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.93
Rot. Bonds11

About N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 55408036) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID55408036
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOCCOCCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-14-7-4-5-8-15(14)18(24(3,20)21)13-16(19)17-9-6-10-23-12-11-22-2/h4-5,7-8H,6,9-13H2,1-3H3,(H,17,19)
InChIKeyYDCBQEQJKHOAKV-UHFFFAOYSA-N
XLogP0.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
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-(3-methoxypropyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 53280945
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 31115277
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
2-(2-bromo-4-methyl-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 113156490
2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803123
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2890925
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
2-(2-methyl-N-methylsulfonylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18277882
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 55408036) is N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is COCCOCCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is YDCBQEQJKHOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-14-7-4-5-8-15(14)18(24(3,20)21)13-16(19)17-9-6-10-23-12-11-22-2/h4-5,7-8H,6,9-13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 358.46 g/mol, XLogP of 0.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 55408036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).