N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide

C20H19N3O2S — CID 9325470

IUPACN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-14(24)18(11-15-7-3-2-4-8-15)23-19(25)12-26-20-16-9-5-6-10-17(16)21-13-22-20/h2-10,13,18H,11-12H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyZLYAWBMDQXBNFP-SFHVURJKSA-N
MW365.46 g/mol
LogP3.04
Rot. Bonds7

About N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide

N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 9325470) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
PubChem CID9325470
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-14(24)18(11-15-7-3-2-4-8-15)23-19(25)12-26-20-16-9-5-6-10-17(16)21-13-22-20/h2-10,13,18H,11-12H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyZLYAWBMDQXBNFP-SFHVURJKSA-N
XLogP3.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889497
N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
CID 43028222
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7755371
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
2-(4-bromophenyl)sulfanyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8707512
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 3360520
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9046433
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41001240
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide (CID 9325470) is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ncnc2ccccc12.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is ZLYAWBMDQXBNFP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(24)18(11-15-7-3-2-4-8-15)23-19(25)12-26-20-16-9-5-6-10-17(16)21-13-22-20/h2-10,13,18H,11-12H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide?
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 365.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 9325470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).