N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide

C12H19N3O4S — CID 35325375

IUPACN-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNS(=O)(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O4S/c1-15(2)20(17,18)14-8-7-13-12(16)10-5-4-6-11(9-10)19-3/h4-6,9,14H,7-8H2,1-3H3,(H,13,16)
InChIKeyUFTAEWVCWOIKJK-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.18
Rot. Bonds7

About N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide

N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide (PubChem CID 35325375) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
PubChem CID35325375
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNS(=O)(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O4S/c1-15(2)20(17,18)14-8-7-13-12(16)10-5-4-6-11(9-10)19-3/h4-6,9,14H,7-8H2,1-3H3,(H,13,16)
InChIKeyUFTAEWVCWOIKJK-UHFFFAOYSA-N
XLogP-0.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541
N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide
CID 7617970

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide (CID 35325375) is N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCNS(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide?
The InChIKey is UFTAEWVCWOIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-15(2)20(17,18)14-8-7-13-12(16)10-5-4-6-11(9-10)19-3/h4-6,9,14H,7-8H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide?
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide has a molecular weight of 301.37 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 35325375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).