N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide

C21H23ClN4O4S2 — CID 30584862

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)s1
InChIInChI=1S/C21H23ClN4O4S2/c1-3-5-6-19-24-25-21(31-19)23-20(27)17-13-16(11-12-18(17)22)32(28,29)26-14-7-9-15(10-8-14)30-4-2/h7-13,26H,3-6H2,1-2H3,(H,23,25,27)
InChIKeyZJSZHMRURAWJBK-UHFFFAOYSA-N
MW495.03 g/mol
LogP4.99
Rot. Bonds10

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 30584862) has the molecular formula C21H23ClN4O4S2 and a molecular weight of 495.03 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID30584862
Molecular FormulaC21H23ClN4O4S2
Molecular Weight495.03 g/mol
Exact Mass494.08
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)s1
InChIInChI=1S/C21H23ClN4O4S2/c1-3-5-6-19-24-25-21(31-19)23-20(27)17-13-16(11-12-18(17)22)32(28,29)26-14-7-9-15(10-8-14)30-4-2/h7-13,26H,3-6H2,1-2H3,(H,23,25,27)
InChIKeyZJSZHMRURAWJBK-UHFFFAOYSA-N
XLogP4.99
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.03
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30584497
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 32833050
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
2-methyl-5-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55551181
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410650
2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946422
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 30584862) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is ZJSZHMRURAWJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S2/c1-3-5-6-19-24-25-21(31-19)23-20(27)17-13-16(11-12-18(17)22)32(28,29)26-14-7-9-15(10-8-14)30-4-2/h7-13,26H,3-6H2,1-2H3,(H,23,25,27).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 495.03 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30584862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).