N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide

C16H15N3OS — CID 2929233

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
SMILESCc1ccc2nsnc2c1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-13-16(19-21-18-13)15(11)17-14(20)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,17,20)
InChIKeyIVRYAYLCJOSSKU-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.57
Rot. Bonds4

About N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide (PubChem CID 2929233) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
PubChem CID2929233
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
SMILESCc1ccc2nsnc2c1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-13-16(19-21-18-13)15(11)17-14(20)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,17,20)
InChIKeyIVRYAYLCJOSSKU-UHFFFAOYSA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 4993445
N-(2,4-dimethylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 24789803
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]butanamide
CID 806728
2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 952244
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1132513
N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)butanamide
CID 5183917
Methyl 7-methyl-2,1,3-benzothiadiazol-4-ylcarbamate
CID 605807
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 684863

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide (CID 2929233) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide is Cc1ccc2nsnc2c1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide?
The InChIKey is IVRYAYLCJOSSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-7-9-13-16(19-21-18-13)15(11)17-14(20)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,17,20).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 2929233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).