N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide

C22H18N2OS — CID 44615168

IUPACN-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide
SMILESCc1ccc(C2=Nc3ccccc3SC2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2OS/c1-15-11-13-16(14-12-15)20-22(24-21(25)17-7-3-2-4-8-17)26-19-10-6-5-9-18(19)23-20/h2-14,22H,1H3,(H,24,25)
InChIKeyNKXCPZSHRJMXQL-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.98
Rot. Bonds3

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

N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide (PubChem CID 44615168) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide
PubChem CID44615168
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide
SMILESCc1ccc(C2=Nc3ccccc3SC2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2OS/c1-15-11-13-16(14-12-15)20-22(24-21(25)17-7-3-2-4-8-17)26-19-10-6-5-9-18(19)23-20/h2-14,22H,1H3,(H,24,25)
InChIKeyNKXCPZSHRJMXQL-UHFFFAOYSA-N
XLogP4.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide?
The IUPAC name of N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide (CID 44615168) is N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide?
The canonical SMILES for N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide is Cc1ccc(C2=Nc3ccccc3SC2NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide?
The InChIKey is NKXCPZSHRJMXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-11-13-16(14-12-15)20-22(24-21(25)17-7-3-2-4-8-17)26-19-10-6-5-9-18(19)23-20/h2-14,22H,1H3,(H,24,25).
What are the key properties of N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide?
N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide has a molecular weight of 358.47 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide is sourced from PubChem (CID 44615168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).