7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

C21H21ClN2O2S2 — CID 23602895

IUPAC7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C21H21ClN2O2S2/c1-23(2)7-8-24(12-16-4-3-9-26-16)21(25)19-10-14-13-27-18-11-15(22)5-6-17(18)20(14)28-19/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyZEJYGEYLBWIWFM-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.47
Rot. Bonds6

About 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602895) has the molecular formula C21H21ClN2O2S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602895
Molecular FormulaC21H21ClN2O2S2
Molecular Weight433.00 g/mol
Exact Mass432.07
IUPAC Name7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C21H21ClN2O2S2/c1-23(2)7-8-24(12-16-4-3-9-26-16)21(25)19-10-14-13-27-18-11-15(22)5-6-17(18)20(14)28-19/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyZEJYGEYLBWIWFM-UHFFFAOYSA-N
XLogP5.47
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602756
5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 71972308
7-chloro-N-(4-ethoxyphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602870
N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889018
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877976
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602503
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134059712
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 46261423
N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51072844
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60520037
N-(furan-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71902779

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602895) is 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2.
What is the InChIKey of 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is ZEJYGEYLBWIWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S2/c1-23(2)7-8-24(12-16-4-3-9-26-16)21(25)19-10-14-13-27-18-11-15(22)5-6-17(18)20(14)28-19/h3-6,9-11H,7-8,12-13H2,1-2H3.
What are the key properties of 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 433.00 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).