N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

C21H17FN2O3S — CID 8718515

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H17FN2O3S/c22-15-7-3-9-18-19(15)23-21(28-18)24(12-14-6-4-10-26-14)20(25)17-11-13-5-1-2-8-16(13)27-17/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m0/s1
InChIKeyUQDINCXHOSFWKE-AWEZNQCLSA-N
MW396.44 g/mol
LogP5.01
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8718515) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID8718515
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H17FN2O3S/c22-15-7-3-9-18-19(15)23-21(28-18)24(12-14-6-4-10-26-14)20(25)17-11-13-5-1-2-8-16(13)27-17/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m0/s1
InChIKeyUQDINCXHOSFWKE-AWEZNQCLSA-N
XLogP5.01
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718604
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718562
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989779
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718542
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879677
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8702954
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 90605772
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2522203
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26115916
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849731
3-oxo-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzo[f]chromene-2-carboxamide
CID 43989816

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 8718515) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is O=C(c1cc2ccccc2o1)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is UQDINCXHOSFWKE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c22-15-7-3-9-18-19(15)23-21(28-18)24(12-14-6-4-10-26-14)20(25)17-11-13-5-1-2-8-16(13)27-17/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m0/s1.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8718515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).