N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

C17H19NO3S2 — CID 6620399

IUPACN-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C17H19NO3S2/c1-3-4-9-18(2)17(19)14-10-12-11-23(20,21)15-8-6-5-7-13(15)16(12)22-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyNXOPIIMBZBAPEC-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.57
Rot. Bonds4

About N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 6620399) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID6620399
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC NameN-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C17H19NO3S2/c1-3-4-9-18(2)17(19)14-10-12-11-23(20,21)15-8-6-5-7-13(15)16(12)22-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyNXOPIIMBZBAPEC-UHFFFAOYSA-N
XLogP3.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 6620399) is N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCCCN(C)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is NXOPIIMBZBAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-3-4-9-18(2)17(19)14-10-12-11-23(20,21)15-8-6-5-7-13(15)16(12)22-14/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 6620399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).