N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C14H13N3O4S — CID 97154053

IUPACN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)N[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H13N3O4S/c18-13(16-10-5-6-22(20,21)8-10)7-17-9-15-12-4-2-1-3-11(12)14(17)19/h1-6,9-10H,7-8H2,(H,16,18)/t10-/m0/s1
InChIKeyGOTQQDQINOSSFA-JTQLQIEISA-N
MW319.34 g/mol
LogP-0.18
Rot. Bonds3

About N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 97154053) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID97154053
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)N[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H13N3O4S/c18-13(16-10-5-6-22(20,21)8-10)7-17-9-15-12-4-2-1-3-11(12)14(17)19/h1-6,9-10H,7-8H2,(H,16,18)/t10-/m0/s1
InChIKeyGOTQQDQINOSSFA-JTQLQIEISA-N
XLogP-0.18
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide with MolForge

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Related Compounds

N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175
N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide
CID 46494640
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 97154053) is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)N[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is GOTQQDQINOSSFA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3O4S/c18-13(16-10-5-6-22(20,21)8-10)7-17-9-15-12-4-2-1-3-11(12)14(17)19/h1-6,9-10H,7-8H2,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 319.34 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 97154053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).