3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide

C19H24N2O4S — CID 113066703

IUPAC3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(Cc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-15-6-4-7-16(12-15)14-21(26(3,23)24)11-10-20-19(22)17-8-5-9-18(13-17)25-2/h4-9,12-13H,10-11,14H2,1-3H3,(H,20,22)
InChIKeyVOQBBFFGFPJREZ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.20
Rot. Bonds8

About 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide

3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113066703) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113066703
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(Cc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-15-6-4-7-16(12-15)14-21(26(3,23)24)11-10-20-19(22)17-8-5-9-18(13-17)25-2/h4-9,12-13H,10-11,14H2,1-3H3,(H,20,22)
InChIKeyVOQBBFFGFPJREZ-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
CID 113065954
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067425
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138863

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide (CID 113066703) is 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide is COc1cccc(C(=O)NCCN(Cc2cccc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is VOQBBFFGFPJREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-6-4-7-16(12-15)14-21(26(3,23)24)11-10-20-19(22)17-8-5-9-18(13-17)25-2/h4-9,12-13H,10-11,14H2,1-3H3,(H,20,22).
What are the key properties of 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113066703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).