4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

C19H19FN4O3S2 — CID 100532455

IUPAC4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3S2/c1-29(26,27)24(16-11-9-15(20)10-12-16)13-5-8-17(25)21-19-23-22-18(28-19)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,21,23,25)
InChIKeyFEHUOYZYZVRRRO-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.53
Rot. Bonds8

About 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 100532455) has the molecular formula C19H19FN4O3S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID100532455
Molecular FormulaC19H19FN4O3S2
Molecular Weight434.52 g/mol
Exact Mass434.09
IUPAC Name4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3S2/c1-29(26,27)24(16-11-9-15(20)10-12-16)13-5-8-17(25)21-19-23-22-18(28-19)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,21,23,25)
InChIKeyFEHUOYZYZVRRRO-UHFFFAOYSA-N
XLogP3.53
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100578028
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19256762
2-(N-methylsulfonyl-4-propoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100576300
N-butan-2-yl-4-fluoro-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 42737062
4-(2-methyl-N-methylsulfonylanilino)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100757486
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 21368313
2-(N-methylsulfonyl-3-propan-2-yloxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100589451
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100708318
4-(2-ethoxy-N-methylsulfonylanilino)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100741089

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (CID 100532455) is 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is FEHUOYZYZVRRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S2/c1-29(26,27)24(16-11-9-15(20)10-12-16)13-5-8-17(25)21-19-23-22-18(28-19)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,21,23,25).
What are the key properties of 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 434.52 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 100532455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).