N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide

C27H24N4O3S — CID 24509156

IUPACN-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c2nc3ccccc3s2)cc1
InChIInChI=1S/C27H24N4O3S/c1-3-18-13-15-19(16-14-18)31(26-28-21-10-6-8-12-23(21)35-26)24(32)17-30-22-11-7-5-9-20(22)25(33)29(4-2)27(30)34/h5-16H,3-4,17H2,1-2H3
InChIKeyFOBMPQUDFHGZPD-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.72
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 24509156) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide
PubChem CID24509156
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c2nc3ccccc3s2)cc1
InChIInChI=1S/C27H24N4O3S/c1-3-18-13-15-19(16-14-18)31(26-28-21-10-6-8-12-23(21)35-26)24(32)17-30-22-11-7-5-9-20(22)25(33)29(4-2)27(30)34/h5-16H,3-4,17H2,1-2H3
InChIKeyFOBMPQUDFHGZPD-UHFFFAOYSA-N
XLogP4.72
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583753
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432888
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55433678
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18141671
(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 7947698
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide
CID 18276310
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1,4-dithiane-2-carboxamide
CID 112760795
4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38745501
N-ethyl-N-(4-ethylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046823
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide (CID 24509156) is N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is FOBMPQUDFHGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-3-18-13-15-19(16-14-18)31(26-28-21-10-6-8-12-23(21)35-26)24(32)17-30-22-11-7-5-9-20(22)25(33)29(4-2)27(30)34/h5-16H,3-4,17H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 24509156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).