7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

C15H14ClNO2S2 — CID 23602796

IUPAC7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C15H14ClNO2S2/c1-19-5-4-17-15(18)13-6-9-8-20-12-7-10(16)2-3-11(12)14(9)21-13/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)
InChIKeyUBSOXHUZNVBYDF-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.05
Rot. Bonds4

About 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602796) has the molecular formula C15H14ClNO2S2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602796
Molecular FormulaC15H14ClNO2S2
Molecular Weight339.87 g/mol
Exact Mass339.02
IUPAC Name7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C15H14ClNO2S2/c1-19-5-4-17-15(18)13-6-9-8-20-12-7-10(16)2-3-11(12)14(9)21-13/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)
InChIKeyUBSOXHUZNVBYDF-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
3,6-dichloro-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide
CID 980359
7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623618
N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide
CID 2767963
3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 3118316
N-[(4-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16011673
7-chloro-N-[(4-methylphenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16012479
(3,6-dichloro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27232626
N-(3-ethoxypropyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889013
N-[(3-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16011669
3,6-dichloro-N-[3-(morpholin-4-yl)propyl]-1-benzothiophene-2-carboxamide
CID 2360080
N-[(2-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16011671

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602796) is 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is COCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2.
What is the InChIKey of 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is UBSOXHUZNVBYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S2/c1-19-5-4-17-15(18)13-6-9-8-20-12-7-10(16)2-3-11(12)14(9)21-13/h2-3,6-7H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 339.87 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).