N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

C24H18N2O2S — CID 7915812

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2O2S/c27-23(21-16-18-10-4-6-12-20(18)28-21)26(15-14-17-8-2-1-3-9-17)24-25-19-11-5-7-13-22(19)29-24/h1-13,16H,14-15H2
InChIKeyZSZBMJHRFOJKBP-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.93
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 7915812) has the molecular formula C24H18N2O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID7915812
Molecular FormulaC24H18N2O2S
Molecular Weight398.49 g/mol
Exact Mass398.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2O2S/c27-23(21-16-18-10-4-6-12-20(18)28-21)26(15-14-17-8-2-1-3-9-17)24-25-19-11-5-7-13-22(19)29-24/h1-13,16H,14-15H2
InChIKeyZSZBMJHRFOJKBP-UHFFFAOYSA-N
XLogP5.93
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-benzofuran-2-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 8717871
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
N-(1,3-benzothiazol-2-yl)-2-nitro-N-(2-phenylethyl)benzamide
CID 51533329
N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8717982
N-(1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzamide
CID 16548881
N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718552
2-[1-benzofuran-2-carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 8717941
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592799
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide
CID 2447092
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 44916062
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718562
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 34191800

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (CID 7915812) is N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is O=C(c1cc2ccccc2o1)N(CCc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZSZBMJHRFOJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S/c27-23(21-16-18-10-4-6-12-20(18)28-21)26(15-14-17-8-2-1-3-9-17)24-25-19-11-5-7-13-22(19)29-24/h1-13,16H,14-15H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 5.93, 5 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)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7915812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).