4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

C21H24N4O5S2 — CID 3244619

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C21H24N4O5S2/c1-29-13-11-25(12-14-30-2)32(27,28)18-5-3-17(4-6-18)20(26)24-21-23-19(15-31-21)16-7-9-22-10-8-16/h3-10,15H,11-14H2,1-2H3,(H,23,24,26)
InChIKeyHPTRQYGGCRNYKM-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.74
Rot. Bonds11

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 3244619) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID3244619
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C21H24N4O5S2/c1-29-13-11-25(12-14-30-2)32(27,28)18-5-3-17(4-6-18)20(26)24-21-23-19(15-31-21)16-7-9-22-10-8-16/h3-10,15H,11-14H2,1-2H3,(H,23,24,26)
InChIKeyHPTRQYGGCRNYKM-UHFFFAOYSA-N
XLogP2.74
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.74
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-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 3244619) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is HPTRQYGGCRNYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-29-13-11-25(12-14-30-2)32(27,28)18-5-3-17(4-6-18)20(26)24-21-23-19(15-31-21)16-7-9-22-10-8-16/h3-10,15H,11-14H2,1-2H3,(H,23,24,26).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 476.58 g/mol, XLogP of 2.74, 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-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3244619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).