2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C20H20FN3OS — CID 1442417

IUPAC2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)c1nc(SCC(=O)Nc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C20H20FN3OS/c1-20(2,3)19-23-15-10-6-4-8-13(15)18(24-19)26-12-17(25)22-16-11-7-5-9-14(16)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyQNVUDNWRUAPMLD-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.80
Rot. Bonds4

About 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 1442417) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID1442417
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)c1nc(SCC(=O)Nc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C20H20FN3OS/c1-20(2,3)19-23-15-10-6-4-8-13(15)18(24-19)26-12-17(25)22-16-11-7-5-9-14(16)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyQNVUDNWRUAPMLD-UHFFFAOYSA-N
XLogP4.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 1442402
N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
CID 60545390
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145540
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713171
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1440322
N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169576
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 1442417) is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide is CC(C)(C)c1nc(SCC(=O)Nc2ccccc2F)c2ccccc2n1.
What is the InChIKey of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is QNVUDNWRUAPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-20(2,3)19-23-15-10-6-4-8-13(15)18(24-19)26-12-17(25)22-16-11-7-5-9-14(16)21/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1442417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).