N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

C17H22N2O2S — CID 3240689

IUPACN-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H22N2O2S/c1-2-14-17(21)19(13-9-5-6-10-15(13)22-14)11-16(20)18-12-7-3-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,20)
InChIKeyRHKOCISEKXLRMP-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.96
Rot. Bonds4

About N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 3240689) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID3240689
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H22N2O2S/c1-2-14-17(21)19(13-9-5-6-10-15(13)22-14)11-16(20)18-12-7-3-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,20)
InChIKeyRHKOCISEKXLRMP-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)-1-propanone
CID 113918
2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 69500
Propyromazine Bromide
CID 71493
2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 68846
10-(2-(Diethylamino)propionyl)phenothiazine
CID 1403
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
N-(sec-butyl)-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3424085
N-cyclohexyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3690577
N-cyclopropyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 4453660
1-(2-Oxo-2-phenothiazin-10-ylethyl)pyrrolidine-2,5-dione
CID 692256

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 3240689) is N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is CCC1Sc2ccccc2N(CC(=O)NC2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is RHKOCISEKXLRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-14-17(21)19(13-9-5-6-10-15(13)22-14)11-16(20)18-12-7-3-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 3240689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).