2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H16F3N3O3S — CID 7185412

IUPAC2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)26-11-7-5-10(6-8-11)21-14(24)9-27-15-12-3-1-2-4-13(12)22-16(25)23-15/h5-8H,1-4,9H2,(H,21,24)(H,22,23,25)
InChIKeyQQQLSTKQISPFCS-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7185412) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7185412
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)26-11-7-5-10(6-8-11)21-14(24)9-27-15-12-3-1-2-4-13(12)22-16(25)23-15/h5-8H,1-4,9H2,(H,21,24)(H,22,23,25)
InChIKeyQQQLSTKQISPFCS-UHFFFAOYSA-N
XLogP3.28
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16800028
2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55323093
2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185300
N-[4-amino-6-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-difluorobenzamide
CID 136507601
N-[4-amino-6-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide
CID 135875315
2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 2371854
N-(4-ethoxyphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135546859
N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53130118
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7185412) is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is QQQLSTKQISPFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)26-11-7-5-10(6-8-11)21-14(24)9-27-15-12-3-1-2-4-13(12)22-16(25)23-15/h5-8H,1-4,9H2,(H,21,24)(H,22,23,25).
What are the key properties of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 399.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7185412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).