N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

C22H19N3O2S2 — CID 16507527

IUPACN-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H19N3O2S2/c1-14-9-10-18(27-2)17(12-14)23-20(26)13-29-22-15-6-3-4-7-16(15)24-21(25-22)19-8-5-11-28-19/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyDQQSVSQQAYEVJX-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.41
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 16507527) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID16507527
Molecular FormulaC22H19N3O2S2
Molecular Weight421.55 g/mol
Exact Mass421.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H19N3O2S2/c1-14-9-10-18(27-2)17(12-14)23-20(26)13-29-22-15-6-3-4-7-16(15)24-21(25-22)19-8-5-11-28-19/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyDQQSVSQQAYEVJX-UHFFFAOYSA-N
XLogP5.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507503
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 46377247
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7217668
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3630646
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606818
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 41099497
2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 17447593

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (CID 16507527) is N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is COc1ccc(C)cc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is DQQSVSQQAYEVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-14-9-10-18(27-2)17(12-14)23-20(26)13-29-22-15-6-3-4-7-16(15)24-21(25-22)19-8-5-11-28-19/h3-12H,13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 421.55 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16507527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).