2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide

C15H20N4O4S2 — CID 25488827

IUPAC2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
SMILESCCC(CC)c1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)s1
InChIInChI=1S/C15H20N4O4S2/c1-4-9(5-2)14-18-19-15(24-14)17-13(20)11-8-10(25(16,21)22)6-7-12(11)23-3/h6-9H,4-5H2,1-3H3,(H2,16,21,22)(H,17,19,20)
InChIKeyCBOVMSLQRSMMNI-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.35
Rot. Bonds7

About 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide

2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide (PubChem CID 25488827) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
PubChem CID25488827
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
SMILESCCC(CC)c1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)s1
InChIInChI=1S/C15H20N4O4S2/c1-4-9(5-2)14-18-19-15(24-14)17-13(20)11-8-10(25(16,21)22)6-7-12(11)23-3/h6-9H,4-5H2,1-3H3,(H2,16,21,22)(H,17,19,20)
InChIKeyCBOVMSLQRSMMNI-UHFFFAOYSA-N
XLogP2.35
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
2-(3,4-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 16551290
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
CID 31265617
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 30754773
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide (CID 25488827) is 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide is CCC(CC)c1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)s1.
What is the InChIKey of 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
The InChIKey is CBOVMSLQRSMMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-4-9(5-2)14-18-19-15(24-14)17-13(20)11-8-10(25(16,21)22)6-7-12(11)23-3/h6-9H,4-5H2,1-3H3,(H2,16,21,22)(H,17,19,20).
What are the key properties of 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 25488827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).