2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

C21H21N3O2S — CID 51217052

IUPAC2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c1-23(2)20(26)18(14-8-4-3-5-9-14)27-21-22-17-11-7-6-10-16(17)19(25)24(21)15-12-13-15/h3-11,15,18H,12-13H2,1-2H3
InChIKeyWALJWYUCFIARLF-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (PubChem CID 51217052) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
PubChem CID51217052
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c1-23(2)20(26)18(14-8-4-3-5-9-14)27-21-22-17-11-7-6-10-16(17)19(25)24(21)15-12-13-15/h3-11,15,18H,12-13H2,1-2H3
InChIKeyWALJWYUCFIARLF-UHFFFAOYSA-N
XLogP3.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8981389
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 18199325
(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 9320924
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980654
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 51217015
ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate
CID 42805883

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (CID 51217052) is 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1.
What is the InChIKey of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The InChIKey is WALJWYUCFIARLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-23(2)20(26)18(14-8-4-3-5-9-14)27-21-22-17-11-7-6-10-16(17)19(25)24(21)15-12-13-15/h3-11,15,18H,12-13H2,1-2H3.
What are the key properties of 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide has a molecular weight of 379.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 51217052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).