N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C24H24N2OS — CID 46258721

IUPACN-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(CN2CCSc3ccc(C(=O)Nc4ccccc4C)cc32)cc1
InChIInChI=1S/C24H24N2OS/c1-17-7-9-19(10-8-17)16-26-13-14-28-23-12-11-20(15-22(23)26)24(27)25-21-6-4-3-5-18(21)2/h3-12,15H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyDIDMEGFEKQPXIC-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.67
Rot. Bonds4

About N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 46258721) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID46258721
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC NameN-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(CN2CCSc3ccc(C(=O)Nc4ccccc4C)cc32)cc1
InChIInChI=1S/C24H24N2OS/c1-17-7-9-19(10-8-17)16-26-13-14-28-23-12-11-20(15-22(23)26)24(27)25-21-6-4-3-5-18(21)2/h3-12,15H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyDIDMEGFEKQPXIC-UHFFFAOYSA-N
XLogP5.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258743
N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258738
N-[2-(azepan-1-yl)ethyl]-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876291
N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6622632
[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 20876304
N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258733
4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876233
4-[(4-methylphenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876278
4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6620033
4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876228
N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50754330
4-benzyl-N-[2-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876252

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 46258721) is N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide is Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccccc4C)cc32)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is DIDMEGFEKQPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-17-7-9-19(10-8-17)16-26-13-14-28-23-12-11-20(15-22(23)26)24(27)25-21-6-4-3-5-18(21)2/h3-12,15H,13-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 46258721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).