4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C17H24N4O5S2 — CID 5070084

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)s1
InChIInChI=1S/C17H24N4O5S2/c1-4-15-19-20-17(27-15)18-16(22)13-5-7-14(8-6-13)28(23,24)21(9-11-25-2)10-12-26-3/h5-8H,4,9-12H2,1-3H3,(H,18,20,22)
InChIKeyGPWWTFKNJSMNRB-UHFFFAOYSA-N
MW428.54 g/mol
LogP1.64
Rot. Bonds11

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 5070084) has the molecular formula C17H24N4O5S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID5070084
Molecular FormulaC17H24N4O5S2
Molecular Weight428.54 g/mol
Exact Mass428.12
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)s1
InChIInChI=1S/C17H24N4O5S2/c1-4-15-19-20-17(27-15)18-16(22)13-5-7-14(8-6-13)28(23,24)21(9-11-25-2)10-12-26-3/h5-8H,4,9-12H2,1-3H3,(H,18,20,22)
InChIKeyGPWWTFKNJSMNRB-UHFFFAOYSA-N
XLogP1.64
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 5070084) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)s1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GPWWTFKNJSMNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S2/c1-4-15-19-20-17(27-15)18-16(22)13-5-7-14(8-6-13)28(23,24)21(9-11-25-2)10-12-26-3/h5-8H,4,9-12H2,1-3H3,(H,18,20,22).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 428.54 g/mol, XLogP of 1.64, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 5070084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).