2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

C16H15ClN2O3S — CID 40791931

IUPAC2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccco1
InChIInChI=1S/C16H15ClN2O3S/c1-9(12-3-2-6-22-12)18-15(20)8-14-16(21)19-11-7-10(17)4-5-13(11)23-14/h2-7,9,14H,8H2,1H3,(H,18,20)(H,19,21)/t9-,14+/m0/s1
InChIKeyKCWJSLQZIJPWKI-LKFCYVNXSA-N
MW350.83 g/mol
LogP3.61
Rot. Bonds4

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

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 40791931) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
PubChem CID40791931
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccco1
InChIInChI=1S/C16H15ClN2O3S/c1-9(12-3-2-6-22-12)18-15(20)8-14-16(21)19-11-7-10(17)4-5-13(11)23-14/h2-7,9,14H,8H2,1H3,(H,18,20)(H,19,21)/t9-,14+/m0/s1
InChIKeyKCWJSLQZIJPWKI-LKFCYVNXSA-N
XLogP3.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9481930
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 16613109
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55961543
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 17493187
(2S)-2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]hexanoic acid
CID 120614277
N-(3-aminobutyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 119495535
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 17455331
N-(3-aminobutyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide;hydrochloride
CID 119495534
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 134037676
2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55501868
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 55951651

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (CID 40791931) is 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccco1.
What is the InChIKey of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is KCWJSLQZIJPWKI-LKFCYVNXSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-9(12-3-2-6-22-12)18-15(20)8-14-16(21)19-11-7-10(17)4-5-13(11)23-14/h2-7,9,14H,8H2,1H3,(H,18,20)(H,19,21)/t9-,14+/m0/s1.
What are the key properties of 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 350.83 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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-[(1S)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 40791931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).