3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

C18H24N4O4S2 — CID 2110725

IUPAC3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H24N4O4S2/c1-3-13(4-2)17-20-21-18(27-17)19-16(23)14-6-5-7-15(12-14)28(24,25)22-8-10-26-11-9-22/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,21,23)
InChIKeyWFSYOFLYRKOMLK-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.71
Rot. Bonds7

About 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2110725) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2110725
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC Name3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H24N4O4S2/c1-3-13(4-2)17-20-21-18(27-17)19-16(23)14-6-5-7-15(12-14)28(24,25)22-8-10-26-11-9-22/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,21,23)
InChIKeyWFSYOFLYRKOMLK-UHFFFAOYSA-N
XLogP2.71
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 2110725) is 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WFSYOFLYRKOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-3-13(4-2)17-20-21-18(27-17)19-16(23)14-6-5-7-15(12-14)28(24,25)22-8-10-26-11-9-22/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,21,23).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2110725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).