N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide

C14H19NO2S2 — CID 15407418

IUPACN,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide
SMILESCSc1sc(C(=O)N(C)C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H19NO2S2/c1-14(2)6-8-10(9(16)7-14)13(18-5)19-11(8)12(17)15(3)4/h6-7H2,1-5H3
InChIKeyIKBGEYOLQUNKJR-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.33
Rot. Bonds2

About N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide

N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide (PubChem CID 15407418) has the molecular formula C14H19NO2S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide
PubChem CID15407418
Molecular FormulaC14H19NO2S2
Molecular Weight297.44 g/mol
Exact Mass297.09
IUPAC NameN,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide
SMILESCSc1sc(C(=O)N(C)C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H19NO2S2/c1-14(2)6-8-10(9(16)7-14)13(18-5)19-11(8)12(17)15(3)4/h6-7H2,1-5H3
InChIKeyIKBGEYOLQUNKJR-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide (CID 15407418) is N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide is CSc1sc(C(=O)N(C)C)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide?
The InChIKey is IKBGEYOLQUNKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S2/c1-14(2)6-8-10(9(16)7-14)13(18-5)19-11(8)12(17)15(3)4/h6-7H2,1-5H3.
What are the key properties of N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide?
N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6,6-tetramethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 15407418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).