2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C25H23N3O2S — CID 994841

IUPAC2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3)nc(-c3ccccc3)nc12
InChIInChI=1S/C25H23N3O2S/c1-3-17-10-7-11-21-23(17)27-24(18-8-5-4-6-9-18)28-25(21)31-16-22(29)26-19-12-14-20(30-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyOFMBWHUKMPFDKZ-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.60
Rot. Bonds7

About 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 994841) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID994841
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3)nc(-c3ccccc3)nc12
InChIInChI=1S/C25H23N3O2S/c1-3-17-10-7-11-21-23(17)27-24(18-8-5-4-6-9-18)28-25(21)31-16-22(29)26-19-12-14-20(30-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyOFMBWHUKMPFDKZ-UHFFFAOYSA-N
XLogP5.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 3166172
ethyl 5-acetyl-2-[[2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate
CID 3166174
2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40998171
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 1155970
2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3137270
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 1164159
N-(4-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134204
N-(4-methoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide
CID 46395684
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3869650
N-(4-methoxyphenyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 3801507

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 994841) is 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3)nc(-c3ccccc3)nc12.
What is the InChIKey of 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is OFMBWHUKMPFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-3-17-10-7-11-21-23(17)27-24(18-8-5-4-6-9-18)28-25(21)31-16-22(29)26-19-12-14-20(30-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,26,29).
What are the key properties of 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 994841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).