2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide

C19H19Cl2F3N2O3S — CID 30223544

IUPAC2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H19Cl2F3N2O3S/c1-30(28,29)26(14-8-9-17(21)15(11-14)19(22,23)24)12-18(27)25-10-4-6-13-5-2-3-7-16(13)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,25,27)
InChIKeyKKMISHSLYBKLTR-UHFFFAOYSA-N
MW483.34 g/mol
LogP4.53
Rot. Bonds8

About 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide

2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide (PubChem CID 30223544) has the molecular formula C19H19Cl2F3N2O3S and a molecular weight of 483.34 g/mol. Its IUPAC name is 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide
PubChem CID30223544
Molecular FormulaC19H19Cl2F3N2O3S
Molecular Weight483.34 g/mol
Exact Mass482.04
IUPAC Name2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H19Cl2F3N2O3S/c1-30(28,29)26(14-8-9-17(21)15(11-14)19(22,23)24)12-18(27)25-10-4-6-13-5-2-3-7-16(13)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,25,27)
InChIKeyKKMISHSLYBKLTR-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43896104
2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide
CID 30219848
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220173
N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30223575
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 6492950
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126270431
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methylphenyl)acetamide
CID 1372309
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1297414
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125071455
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30225307
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide (CID 30223544) is 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide is CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
The InChIKey is KKMISHSLYBKLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N2O3S/c1-30(28,29)26(14-8-9-17(21)15(11-14)19(22,23)24)12-18(27)25-10-4-6-13-5-2-3-7-16(13)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,25,27).
What are the key properties of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide has a molecular weight of 483.34 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 30223544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).