N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C26H24BrN3O2S — CID 2556877

IUPACN-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H24BrN3O2S/c1-2-3-6-18-9-15-21(16-10-18)30-25(32)22-7-4-5-8-23(22)29-26(30)33-17-24(31)28-20-13-11-19(27)12-14-20/h4-5,7-16H,2-3,6,17H2,1H3,(H,28,31)
InChIKeyOGBLSHIXFINNPI-UHFFFAOYSA-N
MW522.47 g/mol
LogP6.22
Rot. Bonds8

About N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 2556877) has the molecular formula C26H24BrN3O2S and a molecular weight of 522.47 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID2556877
Molecular FormulaC26H24BrN3O2S
Molecular Weight522.47 g/mol
Exact Mass521.08
IUPAC NameN-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H24BrN3O2S/c1-2-3-6-18-9-15-21(16-10-18)30-25(32)22-7-4-5-8-23(22)29-26(30)33-17-24(31)28-20-13-11-19(27)12-14-20/h4-5,7-16H,2-3,6,17H2,1H3,(H,28,31)
InChIKeyOGBLSHIXFINNPI-UHFFFAOYSA-N
XLogP6.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.47
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-(3-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3745372
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
N-[4-(cyanomethyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46821334
N-(2-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3675546
N-[4-(diethylamino)phenyl]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 3882884
N-(3,4-dimethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23964945
N-(4-bromophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4782004
N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23938230
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27697648
N-(2,6-diethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16534179
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-iodophenyl)acetamide
CID 2344087

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 2556877) is N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCCCc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is OGBLSHIXFINNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O2S/c1-2-3-6-18-9-15-21(16-10-18)30-25(32)22-7-4-5-8-23(22)29-26(30)33-17-24(31)28-20-13-11-19(27)12-14-20/h4-5,7-16H,2-3,6,17H2,1H3,(H,28,31).
What are the key properties of N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 522.47 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2556877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).