N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C16H12BrN3O2S — CID 135504551

IUPACN-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2S/c17-10-5-7-11(8-6-10)18-14(21)9-23-16-19-13-4-2-1-3-12(13)15(22)20-16/h1-8H,9H2,(H,18,21)(H,19,20,22)
InChIKeyUTHYOSOELSLEHI-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.42
Rot. Bonds4

About N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135504551) has the molecular formula C16H12BrN3O2S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135504551
Molecular FormulaC16H12BrN3O2S
Molecular Weight390.26 g/mol
Exact Mass388.98
IUPAC NameN-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2S/c17-10-5-7-11(8-6-10)18-14(21)9-23-16-19-13-4-2-1-3-12(13)15(22)20-16/h1-8H,9H2,(H,18,21)(H,19,20,22)
InChIKeyUTHYOSOELSLEHI-UHFFFAOYSA-N
XLogP3.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135504551) is N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is UTHYOSOELSLEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2S/c17-10-5-7-11(8-6-10)18-14(21)9-23-16-19-13-4-2-1-3-12(13)15(22)20-16/h1-8H,9H2,(H,18,21)(H,19,20,22).
What are the key properties of N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 390.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135504551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).