2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C26H30N4O3S — CID 4782629

IUPAC2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c1C
InChIInChI=1S/C26H30N4O3S/c1-17-9-8-14-21(18(17)2)28-23(31)15-27-24(32)16-34-26-29-22-13-7-6-12-20(22)25(33)30(26)19-10-4-3-5-11-19/h6-9,12-14,19H,3-5,10-11,15-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyMIJVYOBPNGWGPO-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.37
Rot. Bonds7

About 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 4782629) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID4782629
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c1C
InChIInChI=1S/C26H30N4O3S/c1-17-9-8-14-21(18(17)2)28-23(31)15-27-24(32)16-34-26-29-22-13-7-6-12-20(22)25(33)30(26)19-10-4-3-5-11-19/h6-9,12-14,19H,3-5,10-11,15-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyMIJVYOBPNGWGPO-UHFFFAOYSA-N
XLogP4.37
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 16532276
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
N-(3-chloro-2-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979776
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7988603
N-(2,3-dimethylphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1176544
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 7988602
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126479001

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 4782629) is 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c1C.
What is the InChIKey of 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is MIJVYOBPNGWGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-17-9-8-14-21(18(17)2)28-23(31)15-27-24(32)16-34-26-29-22-13-7-6-12-20(22)25(33)30(26)19-10-4-3-5-11-19/h6-9,12-14,19H,3-5,10-11,15-16H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 478.62 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 4782629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).