N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C26H24N4O4S — CID 24518296

IUPACN-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(=O)NC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C26H24N4O4S/c1-16-8-6-13-21(17(16)2)27-25(33)29-23(31)15-35-26-28-22-12-5-4-11-20(22)24(32)30(26)18-9-7-10-19(14-18)34-3/h4-14H,15H2,1-3H3,(H2,27,29,31,33)
InChIKeyMQFBSLNRXFSQBS-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.45
Rot. Bonds6

About N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 24518296) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID24518296
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(=O)NC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C26H24N4O4S/c1-16-8-6-13-21(17(16)2)27-25(33)29-23(31)15-35-26-28-22-12-5-4-11-20(22)24(32)30(26)18-9-7-10-19(14-18)34-3/h4-14H,15H2,1-3H3,(H2,27,29,31,33)
InChIKeyMQFBSLNRXFSQBS-UHFFFAOYSA-N
XLogP4.45
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16533099
2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2392047
N-(2,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41485463
N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 16532276
N-carbamoyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7253259
2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8017664
4-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 27905509
N-[4-(diethylamino)phenyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16533093
N-cyclohexyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1073126
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 33111857
N-[(2,3-dimethylphenyl)carbamoyl]-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 24601199

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 24518296) is N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COc1cccc(-n2c(SCC(=O)NC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)c1.
What is the InChIKey of N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is MQFBSLNRXFSQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-16-8-6-13-21(17(16)2)27-25(33)29-23(31)15-35-26-28-22-12-5-4-11-20(22)24(32)30(26)18-9-7-10-19(14-18)34-3/h4-14H,15H2,1-3H3,(H2,27,29,31,33).
What are the key properties of N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 488.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 24518296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).