N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide

C19H20N2O2S — CID 22515047

IUPACN-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
SMILESCc1ccc(NC(=O)CCCn2sc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-9-10-16(14(2)12-13)20-18(22)8-5-11-21-19(23)15-6-3-4-7-17(15)24-21/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,22)
InChIKeyYZGOOUVFCMNEHY-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.10
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide

N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide (PubChem CID 22515047) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
PubChem CID22515047
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
SMILESCc1ccc(NC(=O)CCCn2sc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-9-10-16(14(2)12-13)20-18(22)8-5-11-21-19(23)15-6-3-4-7-17(15)24-21/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,22)
InChIKeyYZGOOUVFCMNEHY-UHFFFAOYSA-N
XLogP4.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 44968084
N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23945130
N-(4-hydroxyphenyl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45494796
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-[(1R)-1-(1-adamantyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
CID 92679023
3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 39764526
N-(2,4-dimethylphenyl)-4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033884
2-(5-bromopentyl)-1,2-benzothiazol-3-one
CID 71347664
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,4-dimethylphenyl)butanamide
CID 30426290
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide (CID 22515047) is N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide is Cc1ccc(NC(=O)CCCn2sc3ccccc3c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
The InChIKey is YZGOOUVFCMNEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-9-10-16(14(2)12-13)20-18(22)8-5-11-21-19(23)15-6-3-4-7-17(15)24-21/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide has a molecular weight of 340.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 22515047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).