N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide

C18H18N2O4S — CID 15132485

IUPACN-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)S(=O)(=O)c1cc(N(C)C(C)=O)ccc1-2
InChIInChI=1S/C18H18N2O4S/c1-11(21)19(3)13-5-7-15-16-8-6-14(20(4)12(2)22)10-18(16)25(23,24)17(15)9-13/h5-10H,1-4H3
InChIKeyNMRMNAOEXUIXPT-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.47
Rot. Bonds2

About N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide

N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide (PubChem CID 15132485) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide
PubChem CID15132485
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)S(=O)(=O)c1cc(N(C)C(C)=O)ccc1-2
InChIInChI=1S/C18H18N2O4S/c1-11(21)19(3)13-5-7-15-16-8-6-14(20(4)12(2)22)10-18(16)25(23,24)17(15)9-13/h5-10H,1-4H3
InChIKeyNMRMNAOEXUIXPT-UHFFFAOYSA-N
XLogP2.47
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide?
The IUPAC name of N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide (CID 15132485) is N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide?
The canonical SMILES for N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide is CC(=O)N(C)c1ccc2c(c1)S(=O)(=O)c1cc(N(C)C(C)=O)ccc1-2.
What is the InChIKey of N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide?
The InChIKey is NMRMNAOEXUIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11(21)19(3)13-5-7-15-16-8-6-14(20(4)12(2)22)10-18(16)25(23,24)17(15)9-13/h5-10H,1-4H3.
What are the key properties of N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide?
N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[acetyl(methyl)amino]-5,5-dioxodibenzothiophen-3-yl]-N-methylacetamide is sourced from PubChem (CID 15132485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).