N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide

C17H14F2N2O2S — CID 46823890

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCc1nc2ccccc2s1)c1ccccc1OC(F)F
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)23-13-7-3-1-5-11(13)16(22)20-10-9-15-21-12-6-2-4-8-14(12)24-15/h1-8,17H,9-10H2,(H,20,22)
InChIKeyJBPMVDGWKHHRPC-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide (PubChem CID 46823890) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide
PubChem CID46823890
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCc1nc2ccccc2s1)c1ccccc1OC(F)F
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)23-13-7-3-1-5-11(13)16(22)20-10-9-15-21-12-6-2-4-8-14(12)24-15/h1-8,17H,9-10H2,(H,20,22)
InChIKeyJBPMVDGWKHHRPC-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 134012297
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide
CID 86991844
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
2-(difluoromethoxy)-N-(2-pyridin-3-ylethyl)benzamide
CID 39561684
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 18088007
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 39996788

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide (CID 46823890) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide is O=C(NCCc1nc2ccccc2s1)c1ccccc1OC(F)F.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide?
The InChIKey is JBPMVDGWKHHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-17(19)23-13-7-3-1-5-11(13)16(22)20-10-9-15-21-12-6-2-4-8-14(12)24-15/h1-8,17H,9-10H2,(H,20,22).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide has a molecular weight of 348.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 46823890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).