(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide

C22H18N2O2S — CID 1107338

IUPAC(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C22H18N2O2S/c1-15(26-18-10-3-2-4-11-18)21(25)23-17-9-7-8-16(14-17)22-24-19-12-5-6-13-20(19)27-22/h2-15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyPOVDQTFKCRJINB-OAHLLOKOSA-N
MW374.47 g/mol
LogP5.37
Rot. Bonds5

About (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide

(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide (PubChem CID 1107338) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
PubChem CID1107338
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C22H18N2O2S/c1-15(26-18-10-3-2-4-11-18)21(25)23-17-9-7-8-16(14-17)22-24-19-12-5-6-13-20(19)27-22/h2-15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyPOVDQTFKCRJINB-OAHLLOKOSA-N
XLogP5.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42278690
2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 43955384
(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide
CID 51696287
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 46635603
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
1-benzhydryl-3-[3-(1,3-benzothiazol-2-yl)phenyl]urea
CID 121082236
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 16549812
N-(1,3-benzodioxol-5-yl)-2-[3-(1,3-benzothiazol-2-yl)anilino]propanamide
CID 55361626
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930
2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 42958308
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide (CID 1107338) is (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide is C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is POVDQTFKCRJINB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15(26-18-10-3-2-4-11-18)21(25)23-17-9-7-8-16(14-17)22-24-19-12-5-6-13-20(19)27-22/h2-15H,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide?
(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 374.47 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 1107338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).