(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide

C22H17FN2O2S — CID 42278690

IUPAC(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17FN2O2S/c1-14(27-18-12-8-16(23)9-13-18)21(26)24-17-10-6-15(7-11-17)22-25-19-4-2-3-5-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m1/s1
InChIKeyQWFHVRYWBXTXLH-CQSZACIVSA-N
MW392.46 g/mol
LogP5.51
Rot. Bonds5

About (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide

(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 42278690) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
PubChem CID42278690
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17FN2O2S/c1-14(27-18-12-8-16(23)9-13-18)21(26)24-17-10-6-15(7-11-17)22-25-19-4-2-3-5-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m1/s1
InChIKeyQWFHVRYWBXTXLH-CQSZACIVSA-N
XLogP5.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1107338
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
3-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-2-one
CID 60623850
(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 7742007
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6139011
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 16547430

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide (CID 42278690) is (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide is C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is QWFHVRYWBXTXLH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-14(27-18-12-8-16(23)9-13-18)21(26)24-17-10-6-15(7-11-17)22-25-19-4-2-3-5-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 392.46 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 42278690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).