N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C14H18N2O4S — CID 80519579

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1COc2ccccc21
InChIInChI=1S/C14H18N2O4S/c17-14(7-10-9-21(18,19)6-5-15-10)16-12-8-20-13-4-2-1-3-11(12)13/h1-4,10,12,15H,5-9H2,(H,16,17)
InChIKeyMAKMCEJPALHLKS-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.01
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80519579) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80519579
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1COc2ccccc21
InChIInChI=1S/C14H18N2O4S/c17-14(7-10-9-21(18,19)6-5-15-10)16-12-8-20-13-4-2-1-3-11(12)13/h1-4,10,12,15H,5-9H2,(H,16,17)
InChIKeyMAKMCEJPALHLKS-UHFFFAOYSA-N
XLogP0.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520467
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520515
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 80519770
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 80519850
N-(1,3-benzothiazol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520523
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
CID 80519811
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80519579) is N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is MAKMCEJPALHLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-14(7-10-9-21(18,19)6-5-15-10)16-12-8-20-13-4-2-1-3-11(12)13/h1-4,10,12,15H,5-9H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80519579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).