2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

C13H21N3O4S — CID 78912544

IUPAC2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CNCCOC)ccc1C
InChIInChI=1S/C13H21N3O4S/c1-10-4-5-11(8-12(10)21(18,19)14-2)16-13(17)9-15-6-7-20-3/h4-5,8,14-15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyLGJHDKFQEDCOAU-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.08
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (PubChem CID 78912544) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
PubChem CID78912544
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CNCCOC)ccc1C
InChIInChI=1S/C13H21N3O4S/c1-10-4-5-11(8-12(10)21(18,19)14-2)16-13(17)9-15-6-7-20-3/h4-5,8,14-15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyLGJHDKFQEDCOAU-UHFFFAOYSA-N
XLogP0.08
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119679914
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (CID 78912544) is 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1cc(NC(=O)CNCCOC)ccc1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is LGJHDKFQEDCOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-10-4-5-11(8-12(10)21(18,19)14-2)16-13(17)9-15-6-7-20-3/h4-5,8,14-15H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 78912544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).