N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

C18H19Cl3N2O3S — CID 30242581

IUPACN-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl3N2O3S/c1-27(25,26)23(17-11-15(20)8-9-16(17)21)12-18(24)22-10-2-3-13-4-6-14(19)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyFXURQXAYJZHDNM-UHFFFAOYSA-N
MW449.79 g/mol
LogP4.16
Rot. Bonds8

About N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 30242581) has the molecular formula C18H19Cl3N2O3S and a molecular weight of 449.79 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID30242581
Molecular FormulaC18H19Cl3N2O3S
Molecular Weight449.79 g/mol
Exact Mass448.02
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl3N2O3S/c1-27(25,26)23(17-11-15(20)8-9-16(17)21)12-18(24)22-10-2-3-13-4-6-14(19)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyFXURQXAYJZHDNM-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.79
LogP ≤ 54.16
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-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30246318
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2176136
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 30246731
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 132741331
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30223013
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 1090652

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (CID 30242581) is N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is FXURQXAYJZHDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O3S/c1-27(25,26)23(17-11-15(20)8-9-16(17)21)12-18(24)22-10-2-3-13-4-6-14(19)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,24).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 449.79 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30242581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).