(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide

C26H25N3O2S — CID 2550961

IUPAC(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O2S/c1-3-28(21-14-8-5-9-15-21)24(30)19(2)32-26-27-23-17-11-10-16-22(23)25(31)29(26)18-20-12-6-4-7-13-20/h4-17,19H,3,18H2,1-2H3/t19-/m0/s1
InChIKeyWWUJEHDXNSMXGL-IBGZPJMESA-N
MW443.57 g/mol
LogP4.98
Rot. Bonds7

About (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide

(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide (PubChem CID 2550961) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
PubChem CID2550961
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O2S/c1-3-28(21-14-8-5-9-15-21)24(30)19(2)32-26-27-23-17-11-10-16-22(23)25(31)29(26)18-20-12-6-4-7-13-20/h4-17,19H,3,18H2,1-2H3/t19-/m0/s1
InChIKeyWWUJEHDXNSMXGL-IBGZPJMESA-N
XLogP4.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 9329810
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 9329574
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 2946564
ethyl (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 1414598
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 5131440
(2S)-2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylpropanamide
CID 25363838
3-benzyl-2-[(2S)-1-oxo-1-(4-propylphenyl)propan-2-yl]sulfanylquinazolin-4-one
CID 2402566
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 7856781
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112780256
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 55468227
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2618889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide (CID 2550961) is (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide is CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
The InChIKey is WWUJEHDXNSMXGL-IBGZPJMESA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-3-28(21-14-8-5-9-15-21)24(30)19(2)32-26-27-23-17-11-10-16-22(23)25(31)29(26)18-20-12-6-4-7-13-20/h4-17,19H,3,18H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide has a molecular weight of 443.57 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 2550961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).