N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide

C19H19ClN2O2S — CID 55589826

IUPACN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCSc2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C19H19ClN2O2S/c1-13(23)21-16(14-5-3-2-4-6-14)12-19(24)22-9-10-25-18-8-7-15(20)11-17(18)22/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)
InChIKeyRJQKUWULRNXJGE-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.05
Rot. Bonds4

About N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide

N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide (PubChem CID 55589826) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide
PubChem CID55589826
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCSc2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C19H19ClN2O2S/c1-13(23)21-16(14-5-3-2-4-6-14)12-19(24)22-9-10-25-18-8-7-15(20)11-17(18)22/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)
InChIKeyRJQKUWULRNXJGE-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47024797
N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-1-phenylpropyl]acetamide
CID 43035191
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-methylsulfanylphenyl)methanone
CID 112817949
1-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 55590594
N-[(1S)-1-(4-chlorophenyl)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 52505588
N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 86929724
2-chloro-1-(7-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 166404304
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55590262
N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 55971151
3-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 47024805
3-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 55590079

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide (CID 55589826) is N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCSc2ccc(Cl)cc21)c1ccccc1.
What is the InChIKey of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is RJQKUWULRNXJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-13(23)21-16(14-5-3-2-4-6-14)12-19(24)22-9-10-25-18-8-7-15(20)11-17(18)22/h2-8,11,16H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide?
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 374.89 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 55589826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).