N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C22H20N2O2S — CID 16938885

IUPACN-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1cccc2sc(N(Cc3ccco3)C(=O)c3ccccc3)nc12
InChIInChI=1S/C22H20N2O2S/c1-15(2)18-11-6-12-19-20(18)23-22(27-19)24(14-17-10-7-13-26-17)21(25)16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3
InChIKeyLSZXDXVUEGGXEB-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.86
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16938885) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16938885
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1cccc2sc(N(Cc3ccco3)C(=O)c3ccccc3)nc12
InChIInChI=1S/C22H20N2O2S/c1-15(2)18-11-6-12-19-20(18)23-22(27-19)24(14-17-10-7-13-26-17)21(25)16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3
InChIKeyLSZXDXVUEGGXEB-UHFFFAOYSA-N
XLogP5.86
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 16938917
N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938947
N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938973
N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16849781
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939023
N-(furan-2-ylmethyl)-5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16938918
4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989877
2-(4-ethylsulfanylphenyl)-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939020
N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989882
3-chloro-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8702930
N-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938983
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16939244

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 16938885) is N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)c3ccccc3)nc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LSZXDXVUEGGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15(2)18-11-6-12-19-20(18)23-22(27-19)24(14-17-10-7-13-26-17)21(25)16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16938885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).