N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C16H16F3N3O2S — CID 162538672

IUPACN-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccc(F)cc2c(=O)[nH]1)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H16F3N3O2S/c17-9-1-2-12-11(7-9)14(24)22-15(21-12)25-8-13(23)20-10-3-5-16(18,19)6-4-10/h1-2,7,10H,3-6,8H2,(H,20,23)(H,21,22,24)
InChIKeyMKSCKPFUFDCJNO-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.85
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 162538672) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID162538672
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccc(F)cc2c(=O)[nH]1)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H16F3N3O2S/c17-9-1-2-12-11(7-9)14(24)22-15(21-12)25-8-13(23)20-10-3-5-16(18,19)6-4-10/h1-2,7,10H,3-6,8H2,(H,20,23)(H,21,22,24)
InChIKeyMKSCKPFUFDCJNO-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-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135509326
(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136827673
6-fluoro-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3H-quinazolin-4-one
CID 136905386
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
(2S)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-methylpropanamide
CID 136718124
N-(4-fluoro-2-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135732855
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 2086667
N-cyclopentyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135561678
(2S)-N-(ethylcarbamoyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136857258
(2R)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 136905107
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
N-(1,1-dioxothian-4-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 91783867

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 162538672) is N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is O=C(CSc1nc2ccc(F)cc2c(=O)[nH]1)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is MKSCKPFUFDCJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-9-1-2-12-11(7-9)14(24)22-15(21-12)25-8-13(23)20-10-3-5-16(18,19)6-4-10/h1-2,7,10H,3-6,8H2,(H,20,23)(H,21,22,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(4,4-difluorocyclohexyl)-2-[(6-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-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 162538672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).