N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide

C19H25N3O6S2 — CID 3242349

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C19H25N3O6S2/c1-13-17(14(2)23)29-19(20-13)21-18(24)15-5-7-16(8-6-15)30(25,26)22(9-11-27-3)10-12-28-4/h5-8H,9-12H2,1-4H3,(H,20,21,24)
InChIKeyHWZVGLRZUFQIEZ-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.19
Rot. Bonds11

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide (PubChem CID 3242349) has the molecular formula C19H25N3O6S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide
PubChem CID3242349
Molecular FormulaC19H25N3O6S2
Molecular Weight455.56 g/mol
Exact Mass455.12
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C19H25N3O6S2/c1-13-17(14(2)23)29-19(20-13)21-18(24)15-5-7-16(8-6-15)30(25,26)22(9-11-27-3)10-12-28-4/h5-8H,9-12H2,1-4H3,(H,20,21,24)
InChIKeyHWZVGLRZUFQIEZ-UHFFFAOYSA-N
XLogP2.19
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide (CID 3242349) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide?
The InChIKey is HWZVGLRZUFQIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S2/c1-13-17(14(2)23)29-19(20-13)21-18(24)15-5-7-16(8-6-15)30(25,26)22(9-11-27-3)10-12-28-4/h5-8H,9-12H2,1-4H3,(H,20,21,24).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide is sourced from PubChem (CID 3242349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).