2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide

C18H22N2O4S — CID 113068703

IUPAC2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-14-8-10-15(11-9-14)20(25(3,22)23)13-12-19-18(21)16-6-4-5-7-17(16)24-2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyZYXVJCHISPBDBA-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.20
Rot. Bonds7

About 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide

2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113068703) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113068703
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-14-8-10-15(11-9-14)20(25(3,22)23)13-12-19-18(21)16-6-4-5-7-17(16)24-2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyZYXVJCHISPBDBA-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-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
CID 113070611
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
CID 113069407
2-methoxy-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067504
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113070787

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113068703) is 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide is COc1ccccc1C(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is ZYXVJCHISPBDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-8-10-15(11-9-14)20(25(3,22)23)13-12-19-18(21)16-6-4-5-7-17(16)24-2/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide?
2-methoxy-N-[2-(4-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 2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113068703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).