N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide

C18H17F2N3O3S — CID 71790285

IUPACN-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)Nc3cccc(OC(F)F)c3)nc12
InChIInChI=1S/C18H17F2N3O3S/c1-23(18-22-16-13(25-2)7-4-8-14(16)27-18)10-15(24)21-11-5-3-6-12(9-11)26-17(19)20/h3-9,17H,10H2,1-2H3,(H,21,24)
InChIKeyXHZCHKNGANKTCO-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.98
Rot. Bonds7

About N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 71790285) has the molecular formula C18H17F2N3O3S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID71790285
Molecular FormulaC18H17F2N3O3S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)Nc3cccc(OC(F)F)c3)nc12
InChIInChI=1S/C18H17F2N3O3S/c1-23(18-22-16-13(25-2)7-4-8-14(16)27-18)10-15(24)21-11-5-3-6-12(9-11)26-17(19)20/h3-9,17H,10H2,1-2H3,(H,21,24)
InChIKeyXHZCHKNGANKTCO-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 71790285) is N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide is COc1cccc2sc(N(C)CC(=O)Nc3cccc(OC(F)F)c3)nc12.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is XHZCHKNGANKTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3S/c1-23(18-22-16-13(25-2)7-4-8-14(16)27-18)10-15(24)21-11-5-3-6-12(9-11)26-17(19)20/h3-9,17H,10H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 393.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 71790285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).