(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide

C21H23N3O2S — CID 8000199

IUPAC(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
SMILESCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2S/c1-4-13-24-20(26)17-7-5-6-8-18(17)23-21(24)27-15(3)19(25)22-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyNZJGFXUMLMURGL-HNNXBMFYSA-N
MW381.50 g/mol
LogP4.23
Rot. Bonds6

About (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide

(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide (PubChem CID 8000199) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
PubChem CID8000199
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
SMILESCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2S/c1-4-13-24-20(26)17-7-5-6-8-18(17)23-21(24)27-15(3)19(25)22-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyNZJGFXUMLMURGL-HNNXBMFYSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 42963659
N-(4-methylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 16510466
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2529276
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42989782
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
(2S)-N-(2-cyanophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329785
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 46618063
N-(4-ethoxyphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 18091972

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide (CID 8000199) is (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide is CCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O.
What is the InChIKey of (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is NZJGFXUMLMURGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-13-24-20(26)17-7-5-6-8-18(17)23-21(24)27-15(3)19(25)22-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 381.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 8000199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).