2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide

C20H23ClN2O4S — CID 30246731

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H23ClN2O4S/c1-15(24)17-6-3-7-19(13-17)23(28(2,26)27)14-20(25)22-12-4-5-16-8-10-18(21)11-9-16/h3,6-11,13H,4-5,12,14H2,1-2H3,(H,22,25)
InChIKeyLOZRRFPIYBBXJT-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.06
Rot. Bonds9

About 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide (PubChem CID 30246731) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
PubChem CID30246731
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H23ClN2O4S/c1-15(24)17-6-3-7-19(13-17)23(28(2,26)27)14-20(25)22-12-4-5-16-8-10-18(21)11-9-16/h3,6-11,13H,4-5,12,14H2,1-2H3,(H,22,25)
InChIKeyLOZRRFPIYBBXJT-UHFFFAOYSA-N
XLogP3.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30246847
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067
2-(3-chloro-N-methylsulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219674
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30252886
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide (CID 30246731) is 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide is CC(=O)c1cccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
The InChIKey is LOZRRFPIYBBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15(24)17-6-3-7-19(13-17)23(28(2,26)27)14-20(25)22-12-4-5-16-8-10-18(21)11-9-16/h3,6-11,13H,4-5,12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide has a molecular weight of 422.93 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 30246731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).