N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

C24H18N2O2S — CID 163347428

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)oc2c1
InChIInChI=1S/C24H18N2O2S/c1-14-10-11-18-15(2)22(28-20(18)12-14)23(27)25-17-7-5-6-16(13-17)24-26-19-8-3-4-9-21(19)29-24/h3-13H,1-2H3,(H,25,27)
InChIKeyGPSBVAVRNSUUHS-UHFFFAOYSA-N
MW398.49 g/mol
LogP6.58
Rot. Bonds3

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 163347428) has the molecular formula C24H18N2O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID163347428
Molecular FormulaC24H18N2O2S
Molecular Weight398.49 g/mol
Exact Mass398.11
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)oc2c1
InChIInChI=1S/C24H18N2O2S/c1-14-10-11-18-15(2)22(28-20(18)12-14)23(27)25-17-7-5-6-16(13-17)24-26-19-8-3-4-9-21(19)29-24/h3-13H,1-2H3,(H,25,27)
InChIKeyGPSBVAVRNSUUHS-UHFFFAOYSA-N
XLogP6.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 3454814
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2902673
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 5016157
3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 34290939
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 41147462
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46974338
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2290422
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155943148
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-cyanothiophene-2-carboxamide
CID 166204370

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 163347428) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)oc2c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is GPSBVAVRNSUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S/c1-14-10-11-18-15(2)22(28-20(18)12-14)23(27)25-17-7-5-6-16(13-17)24-26-19-8-3-4-9-21(19)29-24/h3-13H,1-2H3,(H,25,27).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 163347428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).