N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide

C24H23ClN2O2S — CID 41363044

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)Cc3ccc(C(C)C)cc3)nc12
InChIInChI=1S/C24H23ClN2O2S/c1-15(2)18-8-6-17(7-9-18)12-22(28)27(14-20-5-4-10-29-20)24-26-23-16(3)11-19(25)13-21(23)30-24/h4-11,13,15H,12,14H2,1-3H3
InChIKeyUIIPZEVKZJQWNA-UHFFFAOYSA-N
MW438.98 g/mol
LogP6.75
Rot. Bonds6

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 41363044) has the molecular formula C24H23ClN2O2S and a molecular weight of 438.98 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID41363044
Molecular FormulaC24H23ClN2O2S
Molecular Weight438.98 g/mol
Exact Mass438.12
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)Cc3ccc(C(C)C)cc3)nc12
InChIInChI=1S/C24H23ClN2O2S/c1-15(2)18-8-6-17(7-9-18)12-22(28)27(14-20-5-4-10-29-20)24-26-23-16(3)11-19(25)13-21(23)30-24/h4-11,13,15H,12,14H2,1-3H3
InChIKeyUIIPZEVKZJQWNA-UHFFFAOYSA-N
XLogP6.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 16954198
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide
CID 30714093
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362982
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848640
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 30713971
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-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839106
2-(4-ethylsulfanylphenyl)-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939020
4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949657
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 30712031
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30709572

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide (CID 41363044) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide is Cc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)Cc3ccc(C(C)C)cc3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is UIIPZEVKZJQWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S/c1-15(2)18-8-6-17(7-9-18)12-22(28)27(14-20-5-4-10-29-20)24-26-23-16(3)11-19(25)13-21(23)30-24/h4-11,13,15H,12,14H2,1-3H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 438.98 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 41363044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).