(2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide

C24H20FN3O2S — CID 2439456

IUPAC(2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
SMILESC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(C)c1ccccc1
InChIInChI=1S/C24H20FN3O2S/c1-16(22(29)27(2)17-10-4-3-5-11-17)31-24-26-20-14-8-6-12-18(20)23(30)28(24)21-15-9-7-13-19(21)25/h3-16H,1-2H3/t16-/m0/s1
InChIKeyQVTWZQATYPWRTM-INIZCTEOSA-N
MW433.51 g/mol
LogP4.67
Rot. Bonds5

About (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide

(2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide (PubChem CID 2439456) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
PubChem CID2439456
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name(2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
SMILESC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(C)c1ccccc1
InChIInChI=1S/C24H20FN3O2S/c1-16(22(29)27(2)17-10-4-3-5-11-17)31-24-26-20-14-8-6-12-18(20)23(30)28(24)21-15-9-7-13-19(21)25/h3-16H,1-2H3/t16-/m0/s1
InChIKeyQVTWZQATYPWRTM-INIZCTEOSA-N
XLogP4.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 4815300
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 4813958
N-(2,6-difluorophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55416975
(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 9320924
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 7856781
3-(2-fluorophenyl)-2-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 41449778
(2S)-N-carbamoyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide
CID 7438596
N-(3-ethoxypropyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55526065
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 3988661
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23886561
(2R)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 2617250
(2R)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7419008

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide (CID 2439456) is (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide is C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide?
The InChIKey is QVTWZQATYPWRTM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-16(22(29)27(2)17-10-4-3-5-11-17)31-24-26-20-14-8-6-12-18(20)23(30)28(24)21-15-9-7-13-19(21)25/h3-16H,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide?
(2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide has a molecular weight of 433.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 2439456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).