2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C24H21BrN4O4S2 — CID 100559440

IUPAC2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H21BrN4O4S2/c1-2-33-20-12-10-19(11-13-20)29(35(31,32)21-14-8-18(25)9-15-21)16-22(30)26-24-28-27-23(34-24)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,26,28,30)
InChIKeyHMEXYSFTHNJZGH-UHFFFAOYSA-N
MW573.49 g/mol
LogP5.20
Rot. Bonds9

About 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 100559440) has the molecular formula C24H21BrN4O4S2 and a molecular weight of 573.49 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID100559440
Molecular FormulaC24H21BrN4O4S2
Molecular Weight573.49 g/mol
Exact Mass572.02
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H21BrN4O4S2/c1-2-33-20-12-10-19(11-13-20)29(35(31,32)21-14-8-18(25)9-15-21)16-22(30)26-24-28-27-23(34-24)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,26,28,30)
InChIKeyHMEXYSFTHNJZGH-UHFFFAOYSA-N
XLogP5.20
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100712995
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100529906
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-(N-methylsulfonyl-4-propoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100576300
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100695995
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100695910
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772734
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100526896
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100758095
3-[(4-bromophenyl)sulfonyl-propylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42736687
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304216

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 100559440) is 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is CCOc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HMEXYSFTHNJZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O4S2/c1-2-33-20-12-10-19(11-13-20)29(35(31,32)21-14-8-18(25)9-15-21)16-22(30)26-24-28-27-23(34-24)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,26,28,30).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 573.49 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 100559440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).