N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide

C22H22N2O3S — CID 2099879

IUPACN-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O
InChIInChI=1S/C22H22N2O3S/c1-16(2)23(14-17-8-4-3-5-9-17)21(25)15-24-19-12-6-10-18-11-7-13-20(22(18)19)28(24,26)27/h3-13,16H,14-15H2,1-2H3
InChIKeyFTDZTYLGLLFHKG-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.79
Rot. Bonds5

About N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide

N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide (PubChem CID 2099879) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide
PubChem CID2099879
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O
InChIInChI=1S/C22H22N2O3S/c1-16(2)23(14-17-8-4-3-5-9-17)21(25)15-24-19-12-6-10-18-11-7-13-20(22(18)19)28(24,26)27/h3-13,16H,14-15H2,1-2H3
InChIKeyFTDZTYLGLLFHKG-UHFFFAOYSA-N
XLogP3.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide (CID 2099879) is N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O.
What is the InChIKey of N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide?
The InChIKey is FTDZTYLGLLFHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16(2)23(14-17-8-4-3-5-9-17)21(25)15-24-19-12-6-10-18-11-7-13-20(22(18)19)28(24,26)27/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide has a molecular weight of 394.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 2099879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).