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

C19H15NO3S2 — CID 6623680

IUPACN-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1
InChIInChI=1S/C19H15NO3S2/c1-20(14-7-3-2-4-8-14)19(21)16-11-13-12-25(22,23)17-10-6-5-9-15(17)18(13)24-16/h2-11H,12H2,1H3
InChIKeyUOVSRZUAARJBLH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.98
Rot. Bonds2

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

N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 6623680) has the molecular formula C19H15NO3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID6623680
Molecular FormulaC19H15NO3S2
Molecular Weight369.47 g/mol
Exact Mass369.05
IUPAC NameN-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1
InChIInChI=1S/C19H15NO3S2/c1-20(14-7-3-2-4-8-14)19(21)16-11-13-12-25(22,23)17-10-6-5-9-15(17)18(13)24-16/h2-11H,12H2,1H3
InChIKeyUOVSRZUAARJBLH-UHFFFAOYSA-N
XLogP3.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]pyrrolidine
CID 6623577
N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
CID 7267028
4-(1-Benzothien-3-ylcarbonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 2932638
N-benzyl-2-methylsulfonyl-N-phenylbenzamide
CID 8892628
[4-[3-(Dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122189062
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
1-Phenyl-4-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)piperazine
CID 3239124
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2-thiophenecarboxamide
CID 3239710
N-(2-(benzylthio)phenyl)-N-(3-(dimethylamino)propyl)benzo[b]thiophene-2-carboxamide
CID 10456979

Frequently Asked Questions

What is the IUPAC name of N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 6623680) is N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is CN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1.
What is the InChIKey of N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is UOVSRZUAARJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S2/c1-20(14-7-3-2-4-8-14)19(21)16-11-13-12-25(22,23)17-10-6-5-9-15(17)18(13)24-16/h2-11H,12H2,1H3.
What are the key properties of N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 6623680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).