(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide

C20H21N3O2S — CID 8000202

IUPAC(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H21N3O2S/c1-3-13-23-19(25)16-11-7-8-12-17(16)22-20(23)26-14(2)18(24)21-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyDCSQAEAINXPMBS-AWEZNQCLSA-N
MW367.47 g/mol
LogP3.93
Rot. Bonds6

About (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide

(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide (PubChem CID 8000202) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
PubChem CID8000202
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H21N3O2S/c1-3-13-23-19(25)16-11-7-8-12-17(16)22-20(23)26-14(2)18(24)21-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyDCSQAEAINXPMBS-AWEZNQCLSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8000199
N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 42963659
(2S)-N-(2-cyanophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329785
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 46668535
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42989782
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 4814030
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
N'-[(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoyl]benzohydrazide
CID 8940921
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9329570

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide (CID 8000202) is (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide is CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is DCSQAEAINXPMBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-13-23-19(25)16-11-7-8-12-17(16)22-20(23)26-14(2)18(24)21-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 8000202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).