N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide

C20H19N3O3S — CID 3244426

IUPACN-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H19N3O3S/c1-14(24)21-11-12-23-19(26)16-9-5-6-10-17(16)22-20(23)27-13-18(25)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeySKDDWIFTYCOJLZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide

N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide (PubChem CID 3244426) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide
PubChem CID3244426
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H19N3O3S/c1-14(24)21-11-12-23-19(26)16-9-5-6-10-17(16)22-20(23)27-13-18(25)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeySKDDWIFTYCOJLZ-UHFFFAOYSA-N
XLogP2.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ME0328
CID 135566764
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide (CID 3244426) is N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide is CC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide?
The InChIKey is SKDDWIFTYCOJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14(24)21-11-12-23-19(26)16-9-5-6-10-17(16)22-20(23)27-13-18(25)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide?
N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 3244426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).