N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide

C19H25N3O4S — CID 119438772

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCCNCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C19H25N3O4S/c1-3-20-14-16-7-4-5-10-18(16)22-19(23)15-8-6-9-17(13-15)27(24,25)21-11-12-26-2/h4-10,13,20-21H,3,11-12,14H2,1-2H3,(H,22,23)
InChIKeyIOJVLSBMIKGJSR-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.97
Rot. Bonds10

About N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide

N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 119438772) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID119438772
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCCNCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C19H25N3O4S/c1-3-20-14-16-7-4-5-10-18(16)22-19(23)15-8-6-9-17(13-15)27(24,25)21-11-12-26-2/h4-10,13,20-21H,3,11-12,14H2,1-2H3,(H,22,23)
InChIKeyIOJVLSBMIKGJSR-UHFFFAOYSA-N
XLogP1.97
TPSA96.53 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 ≤ 51.97
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

N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063596
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063792
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55981731
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide (CID 119438772) is N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide is CCNCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCCOC)c1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is IOJVLSBMIKGJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-20-14-16-7-4-5-10-18(16)22-19(23)15-8-6-9-17(13-15)27(24,25)21-11-12-26-2/h4-10,13,20-21H,3,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 391.49 g/mol, XLogP of 1.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 119438772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).