4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide

C19H22N2O3S — CID 18584380

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15(16-7-3-2-4-8-16)20-19(22)17-9-11-18(12-10-17)21-13-5-6-14-25(21,23)24/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyRSRQDVPUDHYRHF-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.11
Rot. Bonds4

About 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide

4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide (PubChem CID 18584380) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide
PubChem CID18584380
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15(16-7-3-2-4-8-16)20-19(22)17-9-11-18(12-10-17)21-13-5-6-14-25(21,23)24/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyRSRQDVPUDHYRHF-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide (CID 18584380) is 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide?
The InChIKey is RSRQDVPUDHYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15(16-7-3-2-4-8-16)20-19(22)17-9-11-18(12-10-17)21-13-5-6-14-25(21,23)24/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide?
4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 18584380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).