4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C21H24N2OS — CID 20876228

IUPAC4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C21H24N2OS/c24-21(22-18-8-4-5-9-18)17-10-11-20-19(14-17)23(12-13-25-20)15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15H2,(H,22,24)
InChIKeyBYXXTGCOSOYREY-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.47
Rot. Bonds4

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

4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 20876228) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID20876228
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C21H24N2OS/c24-21(22-18-8-4-5-9-18)17-10-11-20-19(14-17)23(12-13-25-20)15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15H2,(H,22,24)
InChIKeyBYXXTGCOSOYREY-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6622632
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6620033
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
5-benzyl-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142267
N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 25234071
N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258721
5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142419
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
N-[2-(azepan-1-yl)ethyl]-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876291
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 20876228) is 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is BYXXTGCOSOYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c24-21(22-18-8-4-5-9-18)17-10-11-20-19(14-17)23(12-13-25-20)15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15H2,(H,22,24).
What are the key properties of 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 20876228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).