4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide

C20H20N2O3S — CID 108796089

IUPAC4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C20H20N2O3S/c1-12-7-9-16(25-3)14(11-12)15(23)8-10-18(24)21-20-22-19-13(2)5-4-6-17(19)26-20/h4-7,9,11H,8,10H2,1-3H3,(H,21,22,24)
InChIKeyBXRJOQKSQVLNNU-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.52
Rot. Bonds6

About 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide

4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide (PubChem CID 108796089) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide
PubChem CID108796089
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C20H20N2O3S/c1-12-7-9-16(25-3)14(11-12)15(23)8-10-18(24)21-20-22-19-13(2)5-4-6-17(19)26-20/h4-7,9,11H,8,10H2,1-3H3,(H,21,22,24)
InChIKeyBXRJOQKSQVLNNU-UHFFFAOYSA-N
XLogP4.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide with MolForge

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108747733
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4799893
benzyl 2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796083
2-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 9047280
N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 46616277
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 108744443

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide (CID 108796089) is 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)Nc1nc2c(C)cccc2s1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide?
The InChIKey is BXRJOQKSQVLNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-12-7-9-16(25-3)14(11-12)15(23)8-10-18(24)21-20-22-19-13(2)5-4-6-17(19)26-20/h4-7,9,11H,8,10H2,1-3H3,(H,21,22,24).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide?
4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide has a molecular weight of 368.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 108796089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).