N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

C22H23NO5S2 — CID 23602503

IUPACN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C22H23NO5S2/c1-2-27-11-6-10-23(14-17-7-5-12-28-17)22(24)19-13-16-15-30(25,26)20-9-4-3-8-18(20)21(16)29-19/h3-5,7-9,12-13H,2,6,10-11,14-15H2,1H3
InChIKeyJDEAWANWPBKZRX-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.36
Rot. Bonds8

About N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602503) has the molecular formula C22H23NO5S2 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602503
Molecular FormulaC22H23NO5S2
Molecular Weight445.56 g/mol
Exact Mass445.10
IUPAC NameN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C22H23NO5S2/c1-2-27-11-6-10-23(14-17-7-5-12-28-17)22(24)19-13-16-15-30(25,26)20-9-4-3-8-18(20)21(16)29-19/h3-5,7-9,12-13H,2,6,10-11,14-15H2,1H3
InChIKeyJDEAWANWPBKZRX-UHFFFAOYSA-N
XLogP4.36
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877976
7-chloro-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602756
N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602511
4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257034
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134059712
N-(3,4-dimethylphenyl)-N-ethyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602454
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602895
N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602423
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide
CID 42773471
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(3-ethoxypropyl)benzamide
CID 3550859
N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602509
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dichloro-N-(3-ethoxypropyl)benzamide
CID 4621699

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602503) is N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is JDEAWANWPBKZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S2/c1-2-27-11-6-10-23(14-17-7-5-12-28-17)22(24)19-13-16-15-30(25,26)20-9-4-3-8-18(20)21(16)29-19/h3-5,7-9,12-13H,2,6,10-11,14-15H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).