4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

C15H19N3O5S2 — CID 27262017

IUPAC4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)no1
InChIInChI=1S/C15H19N3O5S2/c1-9-4-14(17-23-9)16-15(19)13-5-12(8-24-13)25(20,21)18-6-10(2)22-11(3)7-18/h4-5,8,10-11H,6-7H2,1-3H3,(H,16,17,19)/t10-,11-/m1/s1
InChIKeySUONHEBCKGXXIH-GHMZBOCLSA-N
MW385.47 g/mol
LogP2.09
Rot. Bonds4

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 27262017) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID27262017
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)no1
InChIInChI=1S/C15H19N3O5S2/c1-9-4-14(17-23-9)16-15(19)13-5-12(8-24-13)25(20,21)18-6-10(2)22-11(3)7-18/h4-5,8,10-11H,6-7H2,1-3H3,(H,16,17,19)/t10-,11-/m1/s1
InChIKeySUONHEBCKGXXIH-GHMZBOCLSA-N
XLogP2.09
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 27262017) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)no1.
What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is SUONHEBCKGXXIH-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-9-4-14(17-23-9)16-15(19)13-5-12(8-24-13)25(20,21)18-6-10(2)22-11(3)7-18/h4-5,8,10-11H,6-7H2,1-3H3,(H,16,17,19)/t10-,11-/m1/s1.
What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 27262017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).