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

C20H25FN2O3S — CID 30219314

IUPAC2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-3-17-8-4-5-9-19(17)23(27(2,25)26)15-20(24)22-14-6-7-16-10-12-18(21)13-11-16/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyGWCLQYSXINRBDK-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.90
Rot. Bonds9

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

2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (PubChem CID 30219314) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
PubChem CID30219314
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-3-17-8-4-5-9-19(17)23(27(2,25)26)15-20(24)22-14-6-7-16-10-12-18(21)13-11-16/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyGWCLQYSXINRBDK-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.90
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

N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30223013
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30252886
2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30219336
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 113154252
N-[3-(4-fluorophenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219422
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30221731
N-[3-(4-fluorophenyl)propyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30221272
(2R)-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylbutanamide
CID 125066222

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (CID 30219314) is 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is CCc1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The InChIKey is GWCLQYSXINRBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-17-8-4-5-9-19(17)23(27(2,25)26)15-20(24)22-14-6-7-16-10-12-18(21)13-11-16/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 30219314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).