(2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide

C18H17N3O2S — CID 27757908

IUPAC(2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-7-9-14(10-8-12)24-13(2)17(22)20-21-11-19-16-6-4-3-5-15(16)18(21)23/h3-11,13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyZUWCSSZLHVYJSU-ZDUSSCGKSA-N
MW339.42 g/mol
LogP2.96
Rot. Bonds4

About (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide

(2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 27757908) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide
PubChem CID27757908
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-7-9-14(10-8-12)24-13(2)17(22)20-21-11-19-16-6-4-3-5-15(16)18(21)23/h3-11,13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyZUWCSSZLHVYJSU-ZDUSSCGKSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-oxoquinazolin-3-yl)pentanamide
CID 27757903
1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
CID 166206906
N-(4-oxoquinazolin-3-yl)-2-(4-phenylphenyl)acetamide
CID 26181771
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
CID 3691109
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
(2R)-N-[(4-methylphenyl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8726289
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2529276
(2R)-N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41498459
(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8000199
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide (CID 27757908) is (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide is Cc1ccc(S[C@@H](C)C(=O)Nn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ZUWCSSZLHVYJSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-7-9-14(10-8-12)24-13(2)17(22)20-21-11-19-16-6-4-3-5-15(16)18(21)23/h3-11,13H,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide?
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 339.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 27757908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).