4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide

C18H17F3N2O5S — CID 55880093

IUPAC4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O5S/c1-28-14-6-2-12(3-7-14)16(24)22-10-11-23-17(25)13-4-8-15(9-5-13)29(26,27)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyRJMGUPSXRUTTGA-UHFFFAOYSA-N
MW430.40 g/mol
LogP2.15
Rot. Bonds7

About 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide

4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide (PubChem CID 55880093) has the molecular formula C18H17F3N2O5S and a molecular weight of 430.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
PubChem CID55880093
Molecular FormulaC18H17F3N2O5S
Molecular Weight430.40 g/mol
Exact Mass430.08
IUPAC Name4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O5S/c1-28-14-6-2-12(3-7-14)16(24)22-10-11-23-17(25)13-4-8-15(9-5-13)29(26,27)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyRJMGUPSXRUTTGA-UHFFFAOYSA-N
XLogP2.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide (CID 55880093) is 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is RJMGUPSXRUTTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5S/c1-28-14-6-2-12(3-7-14)16(24)22-10-11-23-17(25)13-4-8-15(9-5-13)29(26,27)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide?
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 430.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 55880093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).