(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide

C23H20N2O2S — CID 40538671

IUPAC(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H20N2O2S/c1-2-21(27-19-10-4-3-5-11-19)22(26)25-23-24-20(15-28-23)18-13-12-16-8-6-7-9-17(16)14-18/h3-15,21H,2H2,1H3,(H,24,25,26)/t21-/m0/s1
InChIKeyKOUUYZRDCBEZCE-NRFANRHFSA-N
MW388.49 g/mol
LogP5.76
Rot. Bonds6

About (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide

(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide (PubChem CID 40538671) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
PubChem CID40538671
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H20N2O2S/c1-2-21(27-19-10-4-3-5-11-19)22(26)25-23-24-20(15-28-23)18-13-12-16-8-6-7-9-17(16)14-18/h3-15,21H,2H2,1H3,(H,24,25,26)/t21-/m0/s1
InChIKeyKOUUYZRDCBEZCE-NRFANRHFSA-N
XLogP5.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 5015587
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
CID 8873084
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate
CID 23860376
ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
CID 2948076
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
The IUPAC name of (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide (CID 40538671) is (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
The InChIKey is KOUUYZRDCBEZCE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-2-21(27-19-10-4-3-5-11-19)22(26)25-23-24-20(15-28-23)18-13-12-16-8-6-7-9-17(16)14-18/h3-15,21H,2H2,1H3,(H,24,25,26)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide has a molecular weight of 388.49 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide is sourced from PubChem (CID 40538671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).