N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C21H14N2O4S — CID 55332902

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2C1=O
InChIInChI=1S/C21H14N2O4S/c1-23-20(25)13-7-6-12(9-15(13)21(23)26)22-19(24)17-8-11-10-27-16-5-3-2-4-14(16)18(11)28-17/h2-9H,10H2,1H3,(H,22,24)
InChIKeyFXQKPXRXCLRDBN-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.79
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 55332902) has the molecular formula C21H14N2O4S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID55332902
Molecular FormulaC21H14N2O4S
Molecular Weight390.42 g/mol
Exact Mass390.07
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2C1=O
InChIInChI=1S/C21H14N2O4S/c1-23-20(25)13-7-6-12(9-15(13)21(23)26)22-19(24)17-8-11-10-27-16-5-3-2-4-14(16)18(11)28-17/h2-9H,10H2,1H3,(H,22,24)
InChIKeyFXQKPXRXCLRDBN-UHFFFAOYSA-N
XLogP3.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473029
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 35875668
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 34400383
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55964946
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 55332902) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is FXQKPXRXCLRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4S/c1-23-20(25)13-7-6-12(9-15(13)21(23)26)22-19(24)17-8-11-10-27-16-5-3-2-4-14(16)18(11)28-17/h2-9H,10H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 55332902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).