N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide

C20H20N4O2S — CID 9325504

IUPACN-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C20H20N4O2S/c1-13-6-5-7-14(2)19(13)24-17(25)10-21-18(26)11-27-20-15-8-3-4-9-16(15)22-12-23-20/h3-9,12H,10-11H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyHITWXGBKKICWRE-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.09
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide

N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide (PubChem CID 9325504) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
PubChem CID9325504
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C20H20N4O2S/c1-13-6-5-7-14(2)19(13)24-17(25)10-21-18(26)11-27-20-15-8-3-4-9-16(15)22-12-23-20/h3-9,12H,10-11H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyHITWXGBKKICWRE-UHFFFAOYSA-N
XLogP3.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412358
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 1442402
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7676848
methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate
CID 91962510
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 2478100
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide (CID 9325504) is N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)CSc1ncnc2ccccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide?
The InChIKey is HITWXGBKKICWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-6-5-7-14(2)19(13)24-17(25)10-21-18(26)11-27-20-15-8-3-4-9-16(15)22-12-23-20/h3-9,12H,10-11H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide?
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 9325504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).