N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C17H13ClFN3OS — CID 7145542

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C17H13ClFN3OS/c1-10-20-14-5-3-2-4-12(14)17(21-10)24-9-16(23)22-15-7-6-11(19)8-13(15)18/h2-8H,9H2,1H3,(H,22,23)
InChIKeyXJEFLXWCQHOXKL-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.46
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7145542) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7145542
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C17H13ClFN3OS/c1-10-20-14-5-3-2-4-12(14)17(21-10)24-9-16(23)22-15-7-6-11(19)8-13(15)18/h2-8H,9H2,1H3,(H,22,23)
InChIKeyXJEFLXWCQHOXKL-UHFFFAOYSA-N
XLogP4.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145540
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133920
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78900416
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7145542) is N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccc(F)cc2Cl)c2ccccc2n1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is XJEFLXWCQHOXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c1-10-20-14-5-3-2-4-12(14)17(21-10)24-9-16(23)22-15-7-6-11(19)8-13(15)18/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 361.83 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7145542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).