N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide

C14H18N2O4S — CID 110687768

IUPACN-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H18N2O4S/c1-11(17)12-5-4-6-13(9-12)15-14(18)10-16-7-2-3-8-21(16,19)20/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,18)
InChIKeyHEPUBLREUUXWPZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.25
Rot. Bonds4

About N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide

N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide (PubChem CID 110687768) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
PubChem CID110687768
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H18N2O4S/c1-11(17)12-5-4-6-13(9-12)15-14(18)10-16-7-2-3-8-21(16,19)20/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,18)
InChIKeyHEPUBLREUUXWPZ-UHFFFAOYSA-N
XLogP1.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-(3-acetylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199094
N-(3-acetylphenyl)-2-[6-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952585
2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
N-[4-(dimethylamino)phenyl]-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687775
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide
CID 110687779
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
CID 110687886
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid
CID 122109803

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide (CID 110687768) is N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide is CC(=O)c1cccc(NC(=O)CN2CCCCS2(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide?
The InChIKey is HEPUBLREUUXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11(17)12-5-4-6-13(9-12)15-14(18)10-16-7-2-3-8-21(16,19)20/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,18).
What are the key properties of N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide?
N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide is sourced from PubChem (CID 110687768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).