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

C15H19N3O5S2 — CID 4179995

IUPACN,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C15H19N3O5S2/c1-17(2)14(19)10-24-15-16-12-9-11(3-4-13(12)23-15)25(20,21)18-5-7-22-8-6-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCXOWQCOGFAPBCO-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.03
Rot. Bonds5

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

N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (PubChem CID 4179995) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
PubChem CID4179995
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC NameN,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C15H19N3O5S2/c1-17(2)14(19)10-24-15-16-12-9-11(3-4-13(12)23-15)25(20,21)18-5-7-22-8-6-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCXOWQCOGFAPBCO-UHFFFAOYSA-N
XLogP1.03
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (CID 4179995) is N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is CN(C)C(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1.
What is the InChIKey of N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The InChIKey is CXOWQCOGFAPBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-17(2)14(19)10-24-15-16-12-9-11(3-4-13(12)23-15)25(20,21)18-5-7-22-8-6-18/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4179995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).