N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C19H17FN2O2S2 — CID 26002421

IUPACN-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C19H17FN2O2S2/c20-11-5-6-15-12(9-11)13(7-8-25-15)21-18(23)10-17-19(24)22-14-3-1-2-4-16(14)26-17/h1-6,9,13,17H,7-8,10H2,(H,21,23)(H,22,24)/t13-,17+/m0/s1
InChIKeyZYSYXOJIEBSPAZ-SUMWQHHRSA-N
MW388.49 g/mol
LogP3.98
Rot. Bonds3

About N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 26002421) has the molecular formula C19H17FN2O2S2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID26002421
Molecular FormulaC19H17FN2O2S2
Molecular Weight388.49 g/mol
Exact Mass388.07
IUPAC NameN-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C19H17FN2O2S2/c20-11-5-6-15-12(9-11)13(7-8-25-15)21-18(23)10-17-19(24)22-14-3-1-2-4-16(14)26-17/h1-6,9,13,17H,7-8,10H2,(H,21,23)(H,22,24)/t13-,17+/m0/s1
InChIKeyZYSYXOJIEBSPAZ-SUMWQHHRSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 75511546
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4779894
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211933
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24643566
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
2-(1-aminocyclobutyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 79852067
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 60555107
N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329320
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-piperidin-3-ylacetamide
CID 62674703
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329319

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 26002421) is N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCSc2ccc(F)cc21.
What is the InChIKey of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is ZYSYXOJIEBSPAZ-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H17FN2O2S2/c20-11-5-6-15-12(9-11)13(7-8-25-15)21-18(23)10-17-19(24)22-14-3-1-2-4-16(14)26-17/h1-6,9,13,17H,7-8,10H2,(H,21,23)(H,22,24)/t13-,17+/m0/s1.
What are the key properties of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 26002421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).