N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide

C19H20N2O2S — CID 4079990

IUPACN-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCc1ccc(CNC(=O)C(C)C2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-12-7-9-14(10-8-12)11-20-18(22)13(2)17-19(23)21-15-5-3-4-6-16(15)24-17/h3-10,13,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRERNSDYWPIBPOY-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide

N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (PubChem CID 4079990) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
PubChem CID4079990
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCc1ccc(CNC(=O)C(C)C2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-12-7-9-14(10-8-12)11-20-18(22)13(2)17-19(23)21-15-5-3-4-6-16(15)24-17/h3-10,13,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRERNSDYWPIBPOY-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (CID 4079990) is N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is Cc1ccc(CNC(=O)C(C)C2Sc3ccccc3NC2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The InChIKey is RERNSDYWPIBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-7-9-14(10-8-12)11-20-18(22)13(2)17-19(23)21-15-5-3-4-6-16(15)24-17/h3-10,13,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 4079990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).