2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide

C26H29FN2O5S — CID 30250363

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(OC)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O5S/c1-3-34-23-13-15-25(16-14-23)35(31,32)29(22-11-9-21(27)10-12-22)19-26(30)28-17-5-7-20-6-4-8-24(18-20)33-2/h4,6,8-16,18H,3,5,7,17,19H2,1-2H3,(H,28,30)
InChIKeyXHACLFKVRXSYMA-UHFFFAOYSA-N
MW500.59 g/mol
LogP4.18
Rot. Bonds12

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 30250363) has the molecular formula C26H29FN2O5S and a molecular weight of 500.59 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID30250363
Molecular FormulaC26H29FN2O5S
Molecular Weight500.59 g/mol
Exact Mass500.18
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(OC)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O5S/c1-3-34-23-13-15-25(16-14-23)35(31,32)29(22-11-9-21(27)10-12-22)19-26(30)28-17-5-7-20-6-4-8-24(18-20)33-2/h4,6,8-16,18H,3,5,7,17,19H2,1-2H3,(H,28,30)
InChIKeyXHACLFKVRXSYMA-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30229496
N-butyl-2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132750050
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30215078
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 3380289
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30249470
2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132691479
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244115
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 43898977
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 30250363) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(OC)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is XHACLFKVRXSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O5S/c1-3-34-23-13-15-25(16-14-23)35(31,32)29(22-11-9-21(27)10-12-22)19-26(30)28-17-5-7-20-6-4-8-24(18-20)33-2/h4,6,8-16,18H,3,5,7,17,19H2,1-2H3,(H,28,30).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 500.59 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30250363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).