2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide

C22H26N2O5S — CID 56581123

IUPAC2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)COC(c1ccccc1)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C22H26N2O5S/c1-17(22(26)24-12-14-30(27,28)15-13-24)23-20(25)16-29-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,21H,12-16H2,1H3,(H,23,25)
InChIKeyDEXWBFDMRMYAHJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.55
Rot. Bonds7

About 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide

2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 56581123) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide
PubChem CID56581123
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)COC(c1ccccc1)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C22H26N2O5S/c1-17(22(26)24-12-14-30(27,28)15-13-24)23-20(25)16-29-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,21H,12-16H2,1H3,(H,23,25)
InChIKeyDEXWBFDMRMYAHJ-UHFFFAOYSA-N
XLogP1.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide (CID 56581123) is 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide is CC(NC(=O)COC(c1ccccc1)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is DEXWBFDMRMYAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-17(22(26)24-12-14-30(27,28)15-13-24)23-20(25)16-29-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,21H,12-16H2,1H3,(H,23,25).
What are the key properties of 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide?
2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 56581123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).