2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H21F3N2O5S — CID 32941616

IUPAC2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C19H21F3N2O5S/c1-4-9-24(11-17(25)23-14-7-6-13(20)18(21)19(14)22)30(26,27)16-10-12(28-2)5-8-15(16)29-3/h5-8,10H,4,9,11H2,1-3H3,(H,23,25)
InChIKeySRAHXQAIQRCEAF-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.16
Rot. Bonds9

About 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 32941616) has the molecular formula C19H21F3N2O5S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID32941616
Molecular FormulaC19H21F3N2O5S
Molecular Weight446.45 g/mol
Exact Mass446.11
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C19H21F3N2O5S/c1-4-9-24(11-17(25)23-14-7-6-13(20)18(21)19(14)22)30(26,27)16-10-12(28-2)5-8-15(16)29-3/h5-8,10H,4,9,11H2,1-3H3,(H,23,25)
InChIKeySRAHXQAIQRCEAF-UHFFFAOYSA-N
XLogP3.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylsulfamoyl]thiophene-2-carboxylate
CID 31070445
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 30329201
2-[(4-ethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26055395
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 39793374
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28548144
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28547418
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
2-[(4-fluorophenyl)methylsulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675523
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744
3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 32941616) is 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is SRAHXQAIQRCEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S/c1-4-9-24(11-17(25)23-14-7-6-13(20)18(21)19(14)22)30(26,27)16-10-12(28-2)5-8-15(16)29-3/h5-8,10H,4,9,11H2,1-3H3,(H,23,25).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 446.45 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 32941616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).