N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide

C23H17ClFN3O2S — CID 3166643

IUPACN-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C23H17ClFN3O2S/c1-30-20-10-7-15(24)11-19(20)26-21(29)13-31-23-17-12-16(25)8-9-18(17)27-22(28-23)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,29)
InChIKeyYLSBDGMNQZGESR-UHFFFAOYSA-N
MW453.93 g/mol
LogP5.83
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide (PubChem CID 3166643) has the molecular formula C23H17ClFN3O2S and a molecular weight of 453.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
PubChem CID3166643
Molecular FormulaC23H17ClFN3O2S
Molecular Weight453.93 g/mol
Exact Mass453.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C23H17ClFN3O2S/c1-30-20-10-7-15(24)11-19(20)26-21(29)13-31-23-17-12-16(25)8-9-18(17)27-22(28-23)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,29)
InChIKeyYLSBDGMNQZGESR-UHFFFAOYSA-N
XLogP5.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3137509
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3136415
N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136408
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 3166978
N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365108
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetic acid
CID 1136287
2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 1164159
N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetamide
CID 20942541
N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416594

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide (CID 3166643) is N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is YLSBDGMNQZGESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2S/c1-30-20-10-7-15(24)11-19(20)26-21(29)13-31-23-17-12-16(25)8-9-18(17)27-22(28-23)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 453.93 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3166643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).