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

C19H28N4O3S2 — CID 53326303

IUPACN-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C19H28N4O3S2/c1-3-4-5-6-7-8-9-10-18(24)20-16-11-13-17(14-12-16)28(25,26)23-19-22-21-15(2)27-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyYBXVFQLCJDOUAC-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.73
Rot. Bonds12

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

N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide (PubChem CID 53326303) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide
PubChem CID53326303
Molecular FormulaC19H28N4O3S2
Molecular Weight424.59 g/mol
Exact Mass424.16
IUPAC NameN-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C19H28N4O3S2/c1-3-4-5-6-7-8-9-10-18(24)20-16-11-13-17(14-12-16)28(25,26)23-19-22-21-15(2)27-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyYBXVFQLCJDOUAC-UHFFFAOYSA-N
XLogP4.73
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.73
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-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
The IUPAC name of N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide (CID 53326303) is N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide.
What is the SMILES notation for N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
The canonical SMILES for N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
The InChIKey is YBXVFQLCJDOUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c1-3-4-5-6-7-8-9-10-18(24)20-16-11-13-17(14-12-16)28(25,26)23-19-22-21-15(2)27-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide?
N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide has a molecular weight of 424.59 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]decanamide is sourced from PubChem (CID 53326303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).