3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide

C19H25N3O4S — CID 120610760

IUPAC3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
SMILESCOCCNS(=O)(=O)c1cccc(CNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H25N3O4S/c1-26-12-11-22-27(24,25)17-7-4-5-15(13-17)14-21-19(23)10-9-16-6-2-3-8-18(16)20/h2-8,13,22H,9-12,14,20H2,1H3,(H,21,23)
InChIKeyOHCBQHIHUOIJKR-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.44
Rot. Bonds10

About 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide

3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide (PubChem CID 120610760) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
PubChem CID120610760
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
SMILESCOCCNS(=O)(=O)c1cccc(CNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H25N3O4S/c1-26-12-11-22-27(24,25)17-7-4-5-15(13-17)14-21-19(23)10-9-16-6-2-3-8-18(16)20/h2-8,13,22H,9-12,14,20H2,1H3,(H,21,23)
InChIKeyOHCBQHIHUOIJKR-UHFFFAOYSA-N
XLogP1.44
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 119324497
3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride
CID 120500865
3-(2-aminophenyl)-N-[[3-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609991
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 120612277
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 111427144
4-[[[3-(2-methoxyethylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122031524
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111829570
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111828316

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide (CID 120610760) is 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide is COCCNS(=O)(=O)c1cccc(CNC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide?
The InChIKey is OHCBQHIHUOIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-26-12-11-22-27(24,25)17-7-4-5-15(13-17)14-21-19(23)10-9-16-6-2-3-8-18(16)20/h2-8,13,22H,9-12,14,20H2,1H3,(H,21,23).
What are the key properties of 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide?
3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide has a molecular weight of 391.49 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide is sourced from PubChem (CID 120610760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).