4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H18N4O4S2 — CID 4269118

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)CC(C)O1
InChIInChI=1S/C15H18N4O4S2/c1-10-7-19(8-11(2)23-10)25(21,22)13-5-3-12(4-6-13)14(20)17-15-18-16-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,20)
InChIKeyFKLITBYKJBVFPK-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.59
Rot. Bonds4

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 4269118) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID4269118
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)CC(C)O1
InChIInChI=1S/C15H18N4O4S2/c1-10-7-19(8-11(2)23-10)25(21,22)13-5-3-12(4-6-13)14(20)17-15-18-16-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,20)
InChIKeyFKLITBYKJBVFPK-UHFFFAOYSA-N
XLogP1.59
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 4269118) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FKLITBYKJBVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-10-7-19(8-11(2)23-10)25(21,22)13-5-3-12(4-6-13)14(20)17-15-18-16-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,20).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 382.47 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 4269118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).