1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C19H24F2N4O3S2 — CID 55340755

IUPAC1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C19H24F2N4O3S2/c1-3-12(4-2)18-23-24-19(29-18)22-17(26)13-7-9-25(10-8-13)30(27,28)14-5-6-15(20)16(21)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,24,26)
InChIKeyDKRGIYQXDISWEQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.76
Rot. Bonds7

About 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55340755) has the molecular formula C19H24F2N4O3S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID55340755
Molecular FormulaC19H24F2N4O3S2
Molecular Weight458.56 g/mol
Exact Mass458.13
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C19H24F2N4O3S2/c1-3-12(4-2)18-23-24-19(29-18)22-17(26)13-7-9-25(10-8-13)30(27,28)14-5-6-15(20)16(21)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,24,26)
InChIKeyDKRGIYQXDISWEQ-UHFFFAOYSA-N
XLogP3.76
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7718644
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27447398
1-(4-fluorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 110246578
1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865489
1-(2,2-dimethylpropanoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17224450
1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291637
1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 24506364
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27991642
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(3,4-dimethylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 26068346

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 55340755) is 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCC(CC)c1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is DKRGIYQXDISWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3S2/c1-3-12(4-2)18-23-24-19(29-18)22-17(26)13-7-9-25(10-8-13)30(27,28)14-5-6-15(20)16(21)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,24,26).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55340755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).