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

C20H25ClN2O3S — CID 30242378

IUPACN-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-3-16-8-12-19(13-9-16)23(27(2,25)26)15-20(24)22-14-4-5-17-6-10-18(21)11-7-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyBMZMNDJMAGPHDA-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.42
Rot. Bonds9

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

N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30242378) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID30242378
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-3-16-8-12-19(13-9-16)23(27(2,25)26)15-20(24)22-14-4-5-17-6-10-18(21)11-7-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyBMZMNDJMAGPHDA-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.42
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-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242457
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 30246731
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30252886
N-[3-(4-fluorophenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219422
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30219768
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30228923
N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 30242378) is N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is BMZMNDJMAGPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-3-16-8-12-19(13-9-16)23(27(2,25)26)15-20(24)22-14-4-5-17-6-10-18(21)11-7-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 408.95 g/mol, XLogP of 3.42, 9 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-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30242378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).