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

C18H20N2O2S — CID 16938947

IUPACN-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc2c(C(C)C)cccc2s1
InChIInChI=1S/C18H20N2O2S/c1-4-16(21)20(11-13-7-6-10-22-13)18-19-17-14(12(2)3)8-5-9-15(17)23-18/h5-10,12H,4,11H2,1-3H3
InChIKeyZPUPDOCJQSTRKT-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.96
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 16938947) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
PubChem CID16938947
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc2c(C(C)C)cccc2s1
InChIInChI=1S/C18H20N2O2S/c1-4-16(21)20(11-13-7-6-10-22-13)18-19-17-14(12(2)3)8-5-9-15(17)23-18/h5-10,12H,4,11H2,1-3H3
InChIKeyZPUPDOCJQSTRKT-UHFFFAOYSA-N
XLogP4.96
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.96
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)benzamide
CID 16938885
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939023
2-(4-ethylsulfanylphenyl)-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939020
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)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 16938917
N-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938983
N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938973
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
N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16939003
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16939244
N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16863606

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (CID 16938947) is N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is CCC(=O)N(Cc1ccco1)c1nc2c(C(C)C)cccc2s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is ZPUPDOCJQSTRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-4-16(21)20(11-13-7-6-10-22-13)18-19-17-14(12(2)3)8-5-9-15(17)23-18/h5-10,12H,4,11H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 328.44 g/mol, XLogP of 4.96, 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)propanamide is sourced from PubChem (CID 16938947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).