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

C16H19N3O4S2 — CID 4549129

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)CC(C)O1
InChIInChI=1S/C16H19N3O4S2/c1-11-9-19(10-12(2)23-11)25(21,22)14-5-3-13(4-6-14)15(20)18-16-17-7-8-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,17,18,20)
InChIKeyPBJPDUBWLXOFHR-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.19
Rot. Bonds4

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

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4549129) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4549129
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)CC(C)O1
InChIInChI=1S/C16H19N3O4S2/c1-11-9-19(10-12(2)23-11)25(21,22)14-5-3-13(4-6-14)15(20)18-16-17-7-8-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,17,18,20)
InChIKeyPBJPDUBWLXOFHR-UHFFFAOYSA-N
XLogP2.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 4549129) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PBJPDUBWLXOFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11-9-19(10-12(2)23-11)25(21,22)14-5-3-13(4-6-14)15(20)18-16-17-7-8-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,17,18,20).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4549129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).