2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium

C14H24N3O4S+ — CID 7618004

IUPAC2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NCC[NH+](C)C)c1
InChIInChI=1S/C14H23N3O4S/c1-17(2)9-7-16-22(19,20)10-8-15-14(18)12-5-4-6-13(11-12)21-3/h4-6,11,16H,7-10H2,1-3H3,(H,15,18)/p+1
InChIKeyVZIDTYQFWHNZJM-UHFFFAOYSA-O
MW330.43 g/mol
LogP-1.51
Rot. Bonds9

About 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium

2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium (PubChem CID 7618004) has the molecular formula C14H24N3O4S+ and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
PubChem CID7618004
Molecular FormulaC14H24N3O4S+
Molecular Weight330.43 g/mol
Exact Mass330.15
IUPAC Name2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NCC[NH+](C)C)c1
InChIInChI=1S/C14H23N3O4S/c1-17(2)9-7-16-22(19,20)10-8-15-14(18)12-5-4-6-13(11-12)21-3/h4-6,11,16H,7-10H2,1-3H3,(H,15,18)/p+1
InChIKeyVZIDTYQFWHNZJM-UHFFFAOYSA-O
XLogP-1.51
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
N-[2-(3-ethoxypropylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618000
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide
CID 7618105
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
N-[2-(ethylsulfamoyl)ethyl]-3,5-dimethoxybenzamide
CID 7619023
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium?
The IUPAC name of 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium (CID 7618004) is 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium?
The canonical SMILES for 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium is COc1cccc(C(=O)NCCS(=O)(=O)NCC[NH+](C)C)c1.
What is the InChIKey of 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium?
The InChIKey is VZIDTYQFWHNZJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O4S/c1-17(2)9-7-16-22(19,20)10-8-15-14(18)12-5-4-6-13(11-12)21-3/h4-6,11,16H,7-10H2,1-3H3,(H,15,18)/p+1.
What are the key properties of 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium?
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium has a molecular weight of 330.43 g/mol, XLogP of -1.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium is sourced from PubChem (CID 7618004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).