2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide

C16H23ClN2O4S2 — CID 124850755

IUPAC2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide
SMILESCSCC[C@H](CO)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C16H23ClN2O4S2/c1-24-8-6-12(11-20)18-16(21)14-5-4-13(10-15(14)17)19-7-2-3-9-25(19,22)23/h4-5,10,12,20H,2-3,6-9,11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyRAGNEBFOFUOAEE-GFCCVEGCSA-N
MW406.96 g/mol
LogP2.11
Rot. Bonds7

About 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide (PubChem CID 124850755) has the molecular formula C16H23ClN2O4S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide
PubChem CID124850755
Molecular FormulaC16H23ClN2O4S2
Molecular Weight406.96 g/mol
Exact Mass406.08
IUPAC Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide
SMILESCSCC[C@H](CO)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C16H23ClN2O4S2/c1-24-8-6-12(11-20)18-16(21)14-5-4-13(10-15(14)17)19-7-2-3-9-25(19,22)23/h4-5,10,12,20H,2-3,6-9,11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyRAGNEBFOFUOAEE-GFCCVEGCSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide?
The IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide (CID 124850755) is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide is CSCC[C@H](CO)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide?
The InChIKey is RAGNEBFOFUOAEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O4S2/c1-24-8-6-12(11-20)18-16(21)14-5-4-13(10-15(14)17)19-7-2-3-9-25(19,22)23/h4-5,10,12,20H,2-3,6-9,11H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide?
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide has a molecular weight of 406.96 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide is sourced from PubChem (CID 124850755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).