N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide

C22H15BrClN3OS — CID 3136408

IUPACN-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccccc1Br
InChIInChI=1S/C22H15BrClN3OS/c23-17-8-4-5-9-19(17)25-20(28)13-29-22-16-12-15(24)10-11-18(16)26-21(27-22)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)
InChIKeyIQYGSKRGSCJVOV-UHFFFAOYSA-N
MW484.81 g/mol
LogP6.44
Rot. Bonds5

About N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide

N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide (PubChem CID 3136408) has the molecular formula C22H15BrClN3OS and a molecular weight of 484.81 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
PubChem CID3136408
Molecular FormulaC22H15BrClN3OS
Molecular Weight484.81 g/mol
Exact Mass482.98
IUPAC NameN-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccccc1Br
InChIInChI=1S/C22H15BrClN3OS/c23-17-8-4-5-9-19(17)25-20(28)13-29-22-16-12-15(24)10-11-18(16)26-21(27-22)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)
InChIKeyIQYGSKRGSCJVOV-UHFFFAOYSA-N
XLogP6.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3135640
2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3136415
2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 1164159
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3137509
2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 46934535
2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 3135641
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991
N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 3991551

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide (CID 3136408) is N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide is O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is IQYGSKRGSCJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClN3OS/c23-17-8-4-5-9-19(17)25-20(28)13-29-22-16-12-15(24)10-11-18(16)26-21(27-22)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28).
What are the key properties of N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide?
N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 484.81 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3136408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).