N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide

C15H25N3O4S — CID 113066241

IUPACN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(CCN(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H25N3O4S/c1-17(2)10-11-18(23(4,20)21)9-8-16-15(19)13-6-5-7-14(12-13)22-3/h5-7,12H,8-11H2,1-4H3,(H,16,19)
InChIKeyJJORFZOLPIAVKM-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.25
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide

N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide (PubChem CID 113066241) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
PubChem CID113066241
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(CCN(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H25N3O4S/c1-17(2)10-11-18(23(4,20)21)9-8-16-15(19)13-6-5-7-14(12-13)22-3/h5-7,12H,8-11H2,1-4H3,(H,16,19)
InChIKeyJJORFZOLPIAVKM-UHFFFAOYSA-N
XLogP0.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
CID 113065954
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide (CID 113066241) is N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN(CCN(C)C)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
The InChIKey is JJORFZOLPIAVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-17(2)10-11-18(23(4,20)21)9-8-16-15(19)13-6-5-7-14(12-13)22-3/h5-7,12H,8-11H2,1-4H3,(H,16,19).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide has a molecular weight of 343.45 g/mol, XLogP of 0.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113066241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).