N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C16H16F3N3O2S — CID 162672644

IUPACN-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2c(F)cccc2c(=O)[nH]1)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H16F3N3O2S/c17-11-3-1-2-10-13(11)21-15(22-14(10)24)25-8-12(23)20-9-4-6-16(18,19)7-5-9/h1-3,9H,4-8H2,(H,20,23)(H,21,22,24)
InChIKeyXFIIQJKGUWVBFP-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.85
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 162672644) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID162672644
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2c(F)cccc2c(=O)[nH]1)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H16F3N3O2S/c17-11-3-1-2-10-13(11)21-15(22-14(10)24)25-8-12(23)20-9-4-6-16(18,19)7-5-9/h1-3,9H,4-8H2,(H,20,23)(H,21,22,24)
InChIKeyXFIIQJKGUWVBFP-UHFFFAOYSA-N
XLogP2.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
Bis-quinazolinone 5
CID 145996538
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
N-(cyclohexylcarbamoyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2084944
N-cyclopropyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2364960
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide
CID 2434718
2-[2-(Azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2456205
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 2994561
N-(benzylcarbamoyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4336595

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 162672644) is N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is O=C(CSc1nc2c(F)cccc2c(=O)[nH]1)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is XFIIQJKGUWVBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-11-3-1-2-10-13(11)21-15(22-14(10)24)25-8-12(23)20-9-4-6-16(18,19)7-5-9/h1-3,9H,4-8H2,(H,20,23)(H,21,22,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 371.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-[(8-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 162672644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).