2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

C17H16ClN3O4S — CID 17493187

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC1Sc2ccc(Cl)cc2NC1=O)NCc1ccco1
InChIInChI=1S/C17H16ClN3O4S/c18-10-3-4-13-12(6-10)21-17(24)14(26-13)7-15(22)20-9-16(23)19-8-11-2-1-5-25-11/h1-6,14H,7-9H2,(H,19,23)(H,20,22)(H,21,24)
InChIKeyZKZLVJWMVRNRJG-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.17
Rot. Bonds6

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

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (PubChem CID 17493187) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
PubChem CID17493187
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC1Sc2ccc(Cl)cc2NC1=O)NCc1ccco1
InChIInChI=1S/C17H16ClN3O4S/c18-10-3-4-13-12(6-10)21-17(24)14(26-13)7-15(22)20-9-16(23)19-8-11-2-1-5-25-11/h1-6,14H,7-9H2,(H,19,23)(H,20,22)(H,21,24)
InChIKeyZKZLVJWMVRNRJG-UHFFFAOYSA-N
XLogP2.17
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide
CID 55924427
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 24654793
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 40791931
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 17455331
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55960303
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 87019940
2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide
CID 33380084
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 55641555
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 55951651
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 55540261
N-[(3-chlorophenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1481831
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenoxypropyl)acetamide
CID 51286535

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (CID 17493187) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is O=C(CNC(=O)CC1Sc2ccc(Cl)cc2NC1=O)NCc1ccco1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The InChIKey is ZKZLVJWMVRNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-10-3-4-13-12(6-10)21-17(24)14(26-13)7-15(22)20-9-16(23)19-8-11-2-1-5-25-11/h1-6,14H,7-9H2,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide has a molecular weight of 393.85 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 17493187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).