2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide

C17H16N2O2S2 — CID 3950799

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S2/c1-11(16(20)18-12-7-3-5-9-14(12)21-2)22-17-19-13-8-4-6-10-15(13)23-17/h3-11H,1-2H3,(H,18,20)
InChIKeyHQIMHIHJWLFOMP-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.42
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 3950799) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
PubChem CID3950799
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S2/c1-11(16(20)18-12-7-3-5-9-14(12)21-2)22-17-19-13-8-4-6-10-15(13)23-17/h3-11H,1-2H3,(H,18,20)
InChIKeyHQIMHIHJWLFOMP-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide (CID 3950799) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)Sc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is HQIMHIHJWLFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11(16(20)18-12-7-3-5-9-14(12)21-2)22-17-19-13-8-4-6-10-15(13)23-17/h3-11H,1-2H3,(H,18,20).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 3950799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).