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

C18H22N2O4S — CID 113068540

IUPAC3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(c2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14-7-4-5-10-17(14)20(25(3,22)23)12-11-19-18(21)15-8-6-9-16(13-15)24-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyBBRBDLSMOFIPKK-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.20
Rot. Bonds7

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

3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113068540) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113068540
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(c2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14-7-4-5-10-17(14)20(25(3,22)23)12-11-19-18(21)15-8-6-9-16(13-15)24-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyBBRBDLSMOFIPKK-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069361

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113068540) is 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is COc1cccc(C(=O)NCCN(c2ccccc2C)S(C)(=O)=O)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is BBRBDLSMOFIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-7-4-5-10-17(14)20(25(3,22)23)12-11-19-18(21)15-8-6-9-16(13-15)24-2/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113068540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).