N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide

C20H21N3O2S — CID 55769442

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-14-4-6-15(7-5-14)8-11-19(25)22-16-9-10-17-18(12-16)26-20(23-17)21-13(2)24/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyCBIKYCIQPDFLFN-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.39
Rot. Bonds6

About N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide (PubChem CID 55769442) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
PubChem CID55769442
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-14-4-6-15(7-5-14)8-11-19(25)22-16-9-10-17-18(12-16)26-20(23-17)21-13(2)24/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyCBIKYCIQPDFLFN-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
CID 46289391
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-[(4-ethylphenyl)methyl]-3-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 46289626
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24688222
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(2-phenylethoxy)butanamide
CID 55832376
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[6-[3-(3-fluoroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]-2-methylpropanamide
CID 46289542
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide (CID 55769442) is N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide?
The InChIKey is CBIKYCIQPDFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-14-4-6-15(7-5-14)8-11-19(25)22-16-9-10-17-18(12-16)26-20(23-17)21-13(2)24/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide has a molecular weight of 367.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 55769442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).