N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C22H22FN3O4S2 — CID 3923619

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H22FN3O4S2/c1-2-25(15-11-12-32(29,30)14-15)20(27)13-31-22-24-18-9-5-3-7-16(18)21(28)26(22)19-10-6-4-8-17(19)23/h3-10,15H,2,11-14H2,1H3
InChIKeyVIAAOFHGAZMQJX-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.65
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 3923619) has the molecular formula C22H22FN3O4S2 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID3923619
Molecular FormulaC22H22FN3O4S2
Molecular Weight475.57 g/mol
Exact Mass475.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H22FN3O4S2/c1-2-25(15-11-12-32(29,30)14-15)20(27)13-31-22-24-18-9-5-3-7-16(18)21(28)26(22)19-10-6-4-8-17(19)23/h3-10,15H,2,11-14H2,1H3
InChIKeyVIAAOFHGAZMQJX-UHFFFAOYSA-N
XLogP2.65
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
N-cyclopropyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2364960
2-[2-(Azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2456205
3-[(phenylsulfanyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 2767705
2-[(3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio]-N-methylacetamide
CID 2994561
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 4288097
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 4379634
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4543216
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135447480
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135697578
3-cyclopentyl-2-[(3-fluorobenzyl)thio]-4(3H)-quinazolinone
CID 1309509

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 3923619) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is VIAAOFHGAZMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S2/c1-2-25(15-11-12-32(29,30)14-15)20(27)13-31-22-24-18-9-5-3-7-16(18)21(28)26(22)19-10-6-4-8-17(19)23/h3-10,15H,2,11-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 475.57 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3923619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).