2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C25H27FN2O6S2 — CID 43898778

IUPAC2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H27FN2O6S2/c1-4-34-22-11-9-21(10-12-22)28(36(32,33)24-15-7-20(26)8-16-24)17-25(29)27-18(2)19-5-13-23(14-6-19)35(3,30)31/h5-16,18H,4,17H2,1-3H3,(H,27,29)
InChIKeyOKEPLPDFOSCBFM-UHFFFAOYSA-N
MW534.63 g/mol
LogP3.70
Rot. Bonds10

About 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 43898778) has the molecular formula C25H27FN2O6S2 and a molecular weight of 534.63 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID43898778
Molecular FormulaC25H27FN2O6S2
Molecular Weight534.63 g/mol
Exact Mass534.13
IUPAC Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H27FN2O6S2/c1-4-34-22-11-9-21(10-12-22)28(36(32,33)24-15-7-20(26)8-16-24)17-25(29)27-18(2)19-5-13-23(14-6-19)35(3,30)31/h5-16,18H,4,17H2,1-3H3,(H,27,29)
InChIKeyOKEPLPDFOSCBFM-UHFFFAOYSA-N
XLogP3.70
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.63
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 94863870
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30227660
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896673
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063186
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902340
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 94019420
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902412
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 43898778) is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CCOc1ccc(N(CC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is OKEPLPDFOSCBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O6S2/c1-4-34-22-11-9-21(10-12-22)28(36(32,33)24-15-7-20(26)8-16-24)17-25(29)27-18(2)19-5-13-23(14-6-19)35(3,30)31/h5-16,18H,4,17H2,1-3H3,(H,27,29).
What are the key properties of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 534.63 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 43898778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).