2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide

C20H24N4O4S — CID 22160702

IUPAC2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)CN(C)C)ccc1-2
InChIInChI=1S/C20H24N4O4S/c1-23(2)11-19(25)21-13-5-7-15-16-8-6-14(22-20(26)12-24(3)4)10-18(16)29(27,28)17(15)9-13/h5-10H,11-12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyFVSQIHZBPADRBB-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.50
Rot. Bonds6

About 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide

2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide (PubChem CID 22160702) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide
PubChem CID22160702
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)CN(C)C)ccc1-2
InChIInChI=1S/C20H24N4O4S/c1-23(2)11-19(25)21-13-5-7-15-16-8-6-14(22-20(26)12-24(3)4)10-18(16)29(27,28)17(15)9-13/h5-10H,11-12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyFVSQIHZBPADRBB-UHFFFAOYSA-N
XLogP1.50
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide (CID 22160702) is 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide is CN(C)CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)CN(C)C)ccc1-2.
What is the InChIKey of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide?
The InChIKey is FVSQIHZBPADRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-23(2)11-19(25)21-13-5-7-15-16-8-6-14(22-20(26)12-24(3)4)10-18(16)29(27,28)17(15)9-13/h5-10H,11-12H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide?
2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-5,5-dioxodibenzothiophen-3-yl]acetamide is sourced from PubChem (CID 22160702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).