N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C23H22N2OS — CID 6622632

IUPACN,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C23H22N2OS/c26-23(24-16-18-7-3-1-4-8-18)20-11-12-22-21(15-20)25(13-14-27-22)17-19-9-5-2-6-10-19/h1-12,15H,13-14,16-17H2,(H,24,26)
InChIKeyDNUJLUYDJLHMDB-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.73
Rot. Bonds5

About N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 6622632) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID6622632
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C23H22N2OS/c26-23(24-16-18-7-3-1-4-8-18)20-11-12-22-21(15-20)25(13-14-27-22)17-19-9-5-2-6-10-19/h1-12,15H,13-14,16-17H2,(H,24,26)
InChIKeyDNUJLUYDJLHMDB-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876233
4-benzyl-N-[2-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876252
(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)-(4-methylpiperazin-1-yl)methanone
CID 20876259
N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258721
4-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876319
N-[2-(azepan-1-yl)ethyl]-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876291
(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6625003
N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
CID 156827909
4-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 3270191
4-[(4-methylphenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876278

Frequently Asked Questions

What is the IUPAC name of N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 6622632) is N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is DNUJLUYDJLHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c26-23(24-16-18-7-3-1-4-8-18)20-11-12-22-21(15-20)25(13-14-27-22)17-19-9-5-2-6-10-19/h1-12,15H,13-14,16-17H2,(H,24,26).
What are the key properties of N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 6622632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).