N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C16H20N2O2S — CID 110771581

IUPACN-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCC1Sc2ccc(CC(=O)NC3CCCC3)cc2NC1=O
InChIInChI=1S/C16H20N2O2S/c1-10-16(20)18-13-8-11(6-7-14(13)21-10)9-15(19)17-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUMDMYKLGMYKDCB-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.72
Rot. Bonds3

About N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 110771581) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID110771581
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCC1Sc2ccc(CC(=O)NC3CCCC3)cc2NC1=O
InChIInChI=1S/C16H20N2O2S/c1-10-16(20)18-13-8-11(6-7-14(13)21-10)9-15(19)17-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUMDMYKLGMYKDCB-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 110771620
1-methyl-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115169162
ethyl 2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetate
CID 116932089
(2R)-2-cyano-N-cyclohexyl-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]-3-oxopropanamide
CID 98450060
2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 110771593
N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771646
N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24632500
2,2-dimethyl-3-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)propanenitrile
CID 116927683
N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51163625
2-methyl-6-[2-(sulfanylmethylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 115228289
6-[(hydrazinylmethylamino)methyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 115260828
6-[2-(aminomethylamino)ethyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 115226094

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 110771581) is N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is CC1Sc2ccc(CC(=O)NC3CCCC3)cc2NC1=O.
What is the InChIKey of N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is UMDMYKLGMYKDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-16(20)18-13-8-11(6-7-14(13)21-10)9-15(19)17-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 304.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 110771581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).