N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide

C21H23N3O2S — CID 51209080

IUPACN,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nc2ccccc2c(=O)n1C)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-4-24(5-2)20(26)18(15-11-7-6-8-12-15)27-21-22-17-14-10-9-13-16(17)19(25)23(21)3/h6-14,18H,4-5H2,1-3H3
InChIKeyVOJXMLBEZIXNHH-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.64
Rot. Bonds6

About N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide

N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 51209080) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
PubChem CID51209080
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nc2ccccc2c(=O)n1C)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-4-24(5-2)20(26)18(15-11-7-6-8-12-15)27-21-22-17-14-10-9-13-16(17)19(25)23(21)3/h6-14,18H,4-5H2,1-3H3
InChIKeyVOJXMLBEZIXNHH-UHFFFAOYSA-N
XLogP3.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 55574473
(2S)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoic acid
CID 10539544
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 18199325
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylpropanamide
CID 86997524
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 51217052
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
N-(3-methylbutan-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51140960

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide (CID 51209080) is N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide is CCN(CC)C(=O)C(Sc1nc2ccccc2c(=O)n1C)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is VOJXMLBEZIXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-24(5-2)20(26)18(15-11-7-6-8-12-15)27-21-22-17-14-10-9-13-16(17)19(25)23(21)3/h6-14,18H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide?
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 381.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 51209080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).