N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide

C19H17FN4O2S — CID 7145882

IUPACN-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
SMILESCc1nc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H17FN4O2S/c1-12-22-16-5-3-2-4-15(16)19(23-12)27-11-18(26)21-10-17(25)24-14-8-6-13(20)7-9-14/h2-9H,10-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyQBBRAGCEIJYHGR-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.92
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide

N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide (PubChem CID 7145882) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
PubChem CID7145882
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
SMILESCc1nc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H17FN4O2S/c1-12-22-16-5-3-2-4-15(16)19(23-12)27-11-18(26)21-10-17(25)24-14-8-6-13(20)7-9-14/h2-9H,10-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyQBBRAGCEIJYHGR-UHFFFAOYSA-N
XLogP2.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2621082
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87018027
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
CID 7134044
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7743687

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide (CID 7145882) is N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide is Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is QBBRAGCEIJYHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-12-22-16-5-3-2-4-15(16)19(23-12)27-11-18(26)21-10-17(25)24-14-8-6-13(20)7-9-14/h2-9H,10-11H2,1H3,(H,21,26)(H,24,25).
What are the key properties of N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 7145882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).