2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C25H23FN4O4S2 — CID 100712995

IUPAC2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN4O4S2/c1-3-34-21-12-10-20(11-13-21)30(36(32,33)22-14-8-19(26)9-15-22)16-23(31)27-25-29-28-24(35-25)18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3,(H,27,29,31)
InChIKeyQENGHWDSHVAFKY-UHFFFAOYSA-N
MW526.62 g/mol
LogP4.89
Rot. Bonds9

About 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 100712995) has the molecular formula C25H23FN4O4S2 and a molecular weight of 526.62 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID100712995
Molecular FormulaC25H23FN4O4S2
Molecular Weight526.62 g/mol
Exact Mass526.11
IUPAC Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN4O4S2/c1-3-34-21-12-10-20(11-13-21)30(36(32,33)22-14-8-19(26)9-15-22)16-23(31)27-25-29-28-24(35-25)18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3,(H,27,29,31)
InChIKeyQENGHWDSHVAFKY-UHFFFAOYSA-N
XLogP4.89
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100758095
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100695910
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100529906
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100559440
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
N-(2,4-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 4041099
N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 53280294
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43894339
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28574516
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 100712995) is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is CCOc1ccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QENGHWDSHVAFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S2/c1-3-34-21-12-10-20(11-13-21)30(36(32,33)22-14-8-19(26)9-15-22)16-23(31)27-25-29-28-24(35-25)18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3,(H,27,29,31).
What are the key properties of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 526.62 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 100712995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).