2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide

C17H18N2OS — CID 2574382

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C17H18N2OS/c1-13-5-4-6-14(11-13)18-17(20)12-19-9-10-21-16-8-3-2-7-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyUXSGCKIKVUKMJC-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.55
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide (PubChem CID 2574382) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
PubChem CID2574382
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C17H18N2OS/c1-13-5-4-6-14(11-13)18-17(20)12-19-9-10-21-16-8-3-2-7-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyUXSGCKIKVUKMJC-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide (CID 2574382) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCSc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is UXSGCKIKVUKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13-5-4-6-14(11-13)18-17(20)12-19-9-10-21-16-8-3-2-7-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2574382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).