N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide

C20H30N4O3S2 — CID 53321030

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C20H30N4O3S2/c1-3-5-6-7-8-9-10-11-18(25)21-16-12-14-17(15-13-16)29(26,27)24-20-23-22-19(4-2)28-20/h12-15H,3-11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyILZODEOZEIRDNY-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.98
Rot. Bonds13

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide (PubChem CID 53321030) has the molecular formula C20H30N4O3S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide
PubChem CID53321030
Molecular FormulaC20H30N4O3S2
Molecular Weight438.62 g/mol
Exact Mass438.18
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C20H30N4O3S2/c1-3-5-6-7-8-9-10-11-18(25)21-16-12-14-17(15-13-16)29(26,27)24-20-23-22-19(4-2)28-20/h12-15H,3-11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyILZODEOZEIRDNY-UHFFFAOYSA-N
XLogP4.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide (CID 53321030) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
The InChIKey is ILZODEOZEIRDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S2/c1-3-5-6-7-8-9-10-11-18(25)21-16-12-14-17(15-13-16)29(26,27)24-20-23-22-19(4-2)28-20/h12-15H,3-11H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide has a molecular weight of 438.62 g/mol, XLogP of 4.98, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide is sourced from PubChem (CID 53321030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).