N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide

C29H24N2O2S — CID 2447092

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N(CCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C29H24N2O2S/c32-28(21-33-26-17-9-7-15-24(26)23-13-5-2-6-14-23)31(20-19-22-11-3-1-4-12-22)29-30-25-16-8-10-18-27(25)34-29/h1-18H,19-21H2
InChIKeyNRPDXRLYPCVYMJ-UHFFFAOYSA-N
MW464.59 g/mol
LogP6.62
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide

N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 2447092) has the molecular formula C29H24N2O2S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide
PubChem CID2447092
Molecular FormulaC29H24N2O2S
Molecular Weight464.59 g/mol
Exact Mass464.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N(CCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C29H24N2O2S/c32-28(21-33-26-17-9-7-15-24(26)23-13-5-2-6-14-23)31(20-19-22-11-3-1-4-12-22)29-30-25-16-8-10-18-27(25)34-29/h1-18H,19-21H2
InChIKeyNRPDXRLYPCVYMJ-UHFFFAOYSA-N
XLogP6.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
CID 7577533
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
CID 41109508
N-(1,3-benzothiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
CID 55667085
1,3-benzothiazol-2-ylmethyl 2-(2-phenylphenoxy)acetate
CID 8919415
N-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenoxyacetamide
CID 163718990
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 7915812
N-(1,3-benzothiazol-2-yl)-2-nitro-N-(2-phenylethyl)benzamide
CID 51533329
N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44922659
2-[1,3-benzothiazol-2-yl-(2-phenylacetyl)amino]ethyl-dimethylazanium
CID 7294716
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536976
N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 55335327

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide (CID 2447092) is N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)N(CCc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is NRPDXRLYPCVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2S/c32-28(21-33-26-17-9-7-15-24(26)23-13-5-2-6-14-23)31(20-19-22-11-3-1-4-12-22)29-30-25-16-8-10-18-27(25)34-29/h1-18H,19-21H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide?
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 464.59 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 2447092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).