N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide

C20H18N2O5S — CID 7482980

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H18N2O5S/c1-13-11-15(22-9-4-10-28(22,25)26)7-8-17(13)21-19(23)16-12-14-5-2-3-6-18(14)27-20(16)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,23)
InChIKeyBAGPWBNTTWAWEX-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.89
Rot. Bonds3

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide (PubChem CID 7482980) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide
PubChem CID7482980
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H18N2O5S/c1-13-11-15(22-9-4-10-28(22,25)26)7-8-17(13)21-19(23)16-12-14-5-2-3-6-18(14)27-20(16)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,23)
InChIKeyBAGPWBNTTWAWEX-UHFFFAOYSA-N
XLogP2.89
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
CID 7482972
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 119440347
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-oxochromene-3-carboxamide
CID 30414199
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 35355077
N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 90595706
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 121141467
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide (CID 7482980) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide is Cc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide?
The InChIKey is BAGPWBNTTWAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-13-11-15(22-9-4-10-28(22,25)26)7-8-17(13)21-19(23)16-12-14-5-2-3-6-18(14)27-20(16)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,23).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 7482980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).