N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C19H20N4O4S2 — CID 30864269

IUPACN-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(24)20-15-4-6-16(7-5-15)29(25,26)23-10-8-14(9-11-23)18-21-22-19(28-18)17-3-2-12-27-17/h2-7,12,14H,8-11H2,1H3,(H,20,24)
InChIKeyBLQMQDGNYVYONH-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.32
Rot. Bonds5

About N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 30864269) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID30864269
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(24)20-15-4-6-16(7-5-15)29(25,26)23-10-8-14(9-11-23)18-21-22-19(28-18)17-3-2-12-27-17/h2-7,12,14H,8-11H2,1H3,(H,20,24)
InChIKeyBLQMQDGNYVYONH-UHFFFAOYSA-N
XLogP3.32
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 30864269) is N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1.
What is the InChIKey of N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is BLQMQDGNYVYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13(24)20-15-4-6-16(7-5-15)29(25,26)23-10-8-14(9-11-23)18-21-22-19(28-18)17-3-2-12-27-17/h2-7,12,14H,8-11H2,1H3,(H,20,24).
What are the key properties of N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 432.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 30864269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).