2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide

C17H17NO2S — CID 22277825

IUPAC2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)-c1ccccc1S2=O
InChIInChI=1S/C17H17NO2S/c1-17(2,3)16(19)18-11-8-9-15-13(10-11)12-6-4-5-7-14(12)21(15)20/h4-10H,1-3H3,(H,18,19)
InChIKeyYUCHAQWHBDBXMS-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.82
Rot. Bonds1

About 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide

2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide (PubChem CID 22277825) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide
PubChem CID22277825
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)-c1ccccc1S2=O
InChIInChI=1S/C17H17NO2S/c1-17(2,3)16(19)18-11-8-9-15-13(10-11)12-6-4-5-7-14(12)21(15)20/h4-10H,1-3H3,(H,18,19)
InChIKeyYUCHAQWHBDBXMS-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide (CID 22277825) is 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide is CC(C)(C)C(=O)Nc1ccc2c(c1)-c1ccccc1S2=O.
What is the InChIKey of 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide?
The InChIKey is YUCHAQWHBDBXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-17(2,3)16(19)18-11-8-9-15-13(10-11)12-6-4-5-7-14(12)21(15)20/h4-10H,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide?
2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide has a molecular weight of 299.39 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-oxodibenzothiophen-2-yl)propanamide is sourced from PubChem (CID 22277825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).