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

C19H28N4O4S2 — CID 53323733

IUPACN-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CO)s2)cc1
InChIInChI=1S/C19H28N4O4S2/c1-2-3-4-5-6-7-8-9-17(25)20-15-10-12-16(13-11-15)29(26,27)23-19-22-21-18(14-24)28-19/h10-13,24H,2-9,14H2,1H3,(H,20,25)(H,22,23)
InChIKeyZYXCDTSHWOVFEL-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.91
Rot. Bonds13

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

N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide (PubChem CID 53323733) has the molecular formula C19H28N4O4S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide.

Molecular Properties

Compound NameN-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide
PubChem CID53323733
Molecular FormulaC19H28N4O4S2
Molecular Weight440.59 g/mol
Exact Mass440.16
IUPAC NameN-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CO)s2)cc1
InChIInChI=1S/C19H28N4O4S2/c1-2-3-4-5-6-7-8-9-17(25)20-15-10-12-16(13-11-15)29(26,27)23-19-22-21-18(14-24)28-19/h10-13,24H,2-9,14H2,1H3,(H,20,25)(H,22,23)
InChIKeyZYXCDTSHWOVFEL-UHFFFAOYSA-N
XLogP3.91
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?
The IUPAC name of N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide (CID 53323733) is N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide.
What is the SMILES notation for N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?
The canonical SMILES for N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CO)s2)cc1.
What is the InChIKey of N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?
The InChIKey is ZYXCDTSHWOVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S2/c1-2-3-4-5-6-7-8-9-17(25)20-15-10-12-16(13-11-15)29(26,27)23-19-22-21-18(14-24)28-19/h10-13,24H,2-9,14H2,1H3,(H,20,25)(H,22,23).
What are the key properties of N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?
N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide has a molecular weight of 440.59 g/mol, XLogP of 3.91, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide is sourced from PubChem (CID 53323733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).