2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

C13H15N3O5S2 — CID 2429591

IUPAC2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C13H15N3O5S2/c14-12(17)8-22-13-15-10-7-9(1-2-11(10)21-13)23(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H2,14,17)
InChIKeyYGWQSZIRMIWISB-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.43
Rot. Bonds5

About 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (PubChem CID 2429591) has the molecular formula C13H15N3O5S2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
PubChem CID2429591
Molecular FormulaC13H15N3O5S2
Molecular Weight357.41 g/mol
Exact Mass357.05
IUPAC Name2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C13H15N3O5S2/c14-12(17)8-22-13-15-10-7-9(1-2-11(10)21-13)23(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H2,14,17)
InChIKeyYGWQSZIRMIWISB-UHFFFAOYSA-N
XLogP0.43
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (CID 2429591) is 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1.
What is the InChIKey of 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The InChIKey is YGWQSZIRMIWISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S2/c14-12(17)8-22-13-15-10-7-9(1-2-11(10)21-13)23(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H2,14,17).
What are the key properties of 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2429591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).