N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C26H21FN4O3S2 — CID 24898458

IUPACN-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)NN3C(=O)CSC3c3ccccc3F)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H21FN4O3S2/c1-16-10-12-17(13-11-16)30-24(34)19-7-3-5-9-21(19)28-26(30)36-14-22(32)29-31-23(33)15-35-25(31)18-6-2-4-8-20(18)27/h2-13,25H,14-15H2,1H3,(H,29,32)
InChIKeyKCHIYRBVHPKNCD-UHFFFAOYSA-N
MW520.61 g/mol
LogP4.23
Rot. Bonds6

About N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 24898458) has the molecular formula C26H21FN4O3S2 and a molecular weight of 520.61 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID24898458
Molecular FormulaC26H21FN4O3S2
Molecular Weight520.61 g/mol
Exact Mass520.10
IUPAC NameN-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)NN3C(=O)CSC3c3ccccc3F)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H21FN4O3S2/c1-16-10-12-17(13-11-16)30-24(34)19-7-3-5-9-21(19)28-26(30)36-14-22(32)29-31-23(33)15-35-25(31)18-6-2-4-8-20(18)27/h2-13,25H,14-15H2,1H3,(H,29,32)
InChIKeyKCHIYRBVHPKNCD-UHFFFAOYSA-N
XLogP4.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6129296
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
N-(4-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8871437
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7845524
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 9491417
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453
N-(2-acetylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2094775
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide
CID 29142086
N-[(4-methoxyphenyl)methyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112779491

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 24898458) is N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is Cc1ccc(-n2c(SCC(=O)NN3C(=O)CSC3c3ccccc3F)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is KCHIYRBVHPKNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3S2/c1-16-10-12-17(13-11-16)30-24(34)19-7-3-5-9-21(19)28-26(30)36-14-22(32)29-31-23(33)15-35-25(31)18-6-2-4-8-20(18)27/h2-13,25H,14-15H2,1H3,(H,29,32).
What are the key properties of N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 520.61 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 24898458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).