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

C20H25ClN2O4S — CID 30220284

IUPACN-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-3-27-19-13-7-6-12-18(19)23(28(2,25)26)15-20(24)22-14-8-10-16-9-4-5-11-17(16)21/h4-7,9,11-13H,3,8,10,14-15H2,1-2H3,(H,22,24)
InChIKeyPLQVHYFWNUKUJJ-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.25
Rot. Bonds10

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

N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30220284) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30220284
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-3-27-19-13-7-6-12-18(19)23(28(2,25)26)15-20(24)22-14-8-10-16-9-4-5-11-17(16)21/h4-7,9,11-13H,3,8,10,14-15H2,1-2H3,(H,22,24)
InChIKeyPLQVHYFWNUKUJJ-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.25
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-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078
N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220809
N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 30222330
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220173
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30277429
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43892502
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30246310
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30203079
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 30220284) is N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is PLQVHYFWNUKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-3-27-19-13-7-6-12-18(19)23(28(2,25)26)15-20(24)22-14-8-10-16-9-4-5-11-17(16)21/h4-7,9,11-13H,3,8,10,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30220284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).