N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

C19H17F2N3O5S2 — CID 2114896

IUPACN-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)Nc1c(F)cccc1F
InChIInChI=1S/C19H17F2N3O5S2/c20-13-2-1-3-14(21)18(13)23-17(25)11-30-19-22-15-10-12(4-5-16(15)29-19)31(26,27)24-6-8-28-9-7-24/h1-5,10H,6-9,11H2,(H,23,25)
InChIKeyZWNONAMYCCTMQE-UHFFFAOYSA-N
MW469.49 g/mol
LogP2.86
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (PubChem CID 2114896) has the molecular formula C19H17F2N3O5S2 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
PubChem CID2114896
Molecular FormulaC19H17F2N3O5S2
Molecular Weight469.49 g/mol
Exact Mass469.06
IUPAC NameN-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)Nc1c(F)cccc1F
InChIInChI=1S/C19H17F2N3O5S2/c20-13-2-1-3-14(21)18(13)23-17(25)11-30-19-22-15-10-12(4-5-16(15)29-19)31(26,27)24-6-8-28-9-7-24/h1-5,10H,6-9,11H2,(H,23,25)
InChIKeyZWNONAMYCCTMQE-UHFFFAOYSA-N
XLogP2.86
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (CID 2114896) is N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZWNONAMYCCTMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O5S2/c20-13-2-1-3-14(21)18(13)23-17(25)11-30-19-22-15-10-12(4-5-16(15)29-19)31(26,27)24-6-8-28-9-7-24/h1-5,10H,6-9,11H2,(H,23,25).
What are the key properties of N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide has a molecular weight of 469.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2114896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).