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

C18H22N2O5S — CID 113070434

IUPAC4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)18(21)19-11-12-20(26(3,22)23)15-5-4-6-17(13-15)25-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyZFRAEVMYMMJJTQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.90
Rot. Bonds8

About 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide

4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113070434) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113070434
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)18(21)19-11-12-20(26(3,22)23)15-5-4-6-17(13-15)25-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyZFRAEVMYMMJJTQ-UHFFFAOYSA-N
XLogP1.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069873
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069361
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113071489

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide (CID 113070434) is 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide is COc1ccc(C(=O)NCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is ZFRAEVMYMMJJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)18(21)19-11-12-20(26(3,22)23)15-5-4-6-17(13-15)25-2/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113070434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).