2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide

C15H17ClN2O4S2 — CID 26646962

IUPAC2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H17ClN2O4S2/c1-18(10-4-5-24(21,22)8-10)14(19)7-13-15(20)17-11-6-9(16)2-3-12(11)23-13/h2-3,6,10,13H,4-5,7-8H2,1H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyNIQUWMBSUQWDJF-GXFFZTMASA-N
MW388.90 g/mol
LogP1.79
Rot. Bonds3

About 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide (PubChem CID 26646962) has the molecular formula C15H17ClN2O4S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
PubChem CID26646962
Molecular FormulaC15H17ClN2O4S2
Molecular Weight388.90 g/mol
Exact Mass388.03
IUPAC Name2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H17ClN2O4S2/c1-18(10-4-5-24(21,22)8-10)14(19)7-13-15(20)17-11-6-9(16)2-3-12(11)23-13/h2-3,6,10,13H,4-5,7-8H2,1H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyNIQUWMBSUQWDJF-GXFFZTMASA-N
XLogP1.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 42927124
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 4974390
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 42943286
6-chloro-2-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 55518521
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823531
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide
CID 71936741
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530301
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
2-(5-chloro-2-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110767252
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24565890
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 16613188

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide (CID 26646962) is 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide is CN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
The InChIKey is NIQUWMBSUQWDJF-GXFFZTMASA-N. The full InChI is InChI=1S/C15H17ClN2O4S2/c1-18(10-4-5-24(21,22)8-10)14(19)7-13-15(20)17-11-6-9(16)2-3-12(11)23-13/h2-3,6,10,13H,4-5,7-8H2,1H3,(H,17,20)/t10-,13+/m0/s1.
What are the key properties of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide has a molecular weight of 388.90 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide is sourced from PubChem (CID 26646962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).