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

C23H20N2O2S — CID 5015587

IUPACN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H20N2O2S/c1-2-21(27-17-11-4-3-5-12-17)22(26)25-23-24-20(15-28-23)19-14-8-10-16-9-6-7-13-18(16)19/h3-15,21H,2H2,1H3,(H,24,25,26)
InChIKeyFXZJHXLWTLIOAX-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.76
Rot. Bonds6

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

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide (PubChem CID 5015587) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
PubChem CID5015587
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H20N2O2S/c1-2-21(27-17-11-4-3-5-12-17)22(26)25-23-24-20(15-28-23)19-14-8-10-16-9-6-7-13-18(16)19/h3-15,21H,2H2,1H3,(H,24,25,26)
InChIKeyFXZJHXLWTLIOAX-UHFFFAOYSA-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

(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
CID 8873084
2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide
CID 71904435
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
CID 2948076
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
The IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide (CID 5015587) is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide.
What is the SMILES notation for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
The canonical SMILES for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
The InChIKey is FXZJHXLWTLIOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-2-21(27-17-11-4-3-5-12-17)22(26)25-23-24-20(15-28-23)19-14-8-10-16-9-6-7-13-18(16)19/h3-15,21H,2H2,1H3,(H,24,25,26).
What are the key properties of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide?
N-(4-naphthalen-1-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 N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide is sourced from PubChem (CID 5015587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).