N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide

C16H20N2O4S — CID 166277113

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2cc(C(=O)NC3C=CS(=O)(=O)C3)c(=O)[nH]c2C1
InChIInChI=1S/C16H20N2O4S/c1-16(2)5-3-10-7-12(15(20)18-13(10)8-16)14(19)17-11-4-6-23(21,22)9-11/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKIYIFPBOZVSLOD-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.93
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 166277113) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID166277113
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2cc(C(=O)NC3C=CS(=O)(=O)C3)c(=O)[nH]c2C1
InChIInChI=1S/C16H20N2O4S/c1-16(2)5-3-10-7-12(15(20)18-13(10)8-16)14(19)17-11-4-6-23(21,22)9-11/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKIYIFPBOZVSLOD-UHFFFAOYSA-N
XLogP0.93
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide (CID 166277113) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide is CC1(C)CCc2cc(C(=O)NC3C=CS(=O)(=O)C3)c(=O)[nH]c2C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is KIYIFPBOZVSLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-16(2)5-3-10-7-12(15(20)18-13(10)8-16)14(19)17-11-4-6-23(21,22)9-11/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 166277113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).