N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide

C20H21N3O2S — CID 135797656

IUPACN-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-14-8-10-15(11-9-14)21-18(24)12-26-13(2)19-22-17-7-5-4-6-16(17)20(25)23-19/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23,25)/t13-/m1/s1
InChIKeyVFPKDCVASIVWFU-CYBMUJFWSA-N
MW367.47 g/mol
LogP3.92
Rot. Bonds6

About N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide

N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide (PubChem CID 135797656) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
PubChem CID135797656
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-14-8-10-15(11-9-14)21-18(24)12-26-13(2)19-22-17-7-5-4-6-16(17)20(25)23-19/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23,25)/t13-/m1/s1
InChIKeyVFPKDCVASIVWFU-CYBMUJFWSA-N
XLogP3.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
CID 135591687
N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
CID 135726372
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 9260769
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400
2-[3-[2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 46370273
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3-bromophenyl)acetamide
CID 8713855
2-[(1S)-1-[(2-methylphenyl)methylsulfanyl]ethyl]-3H-quinazolin-4-one
CID 136835934
2-[(1R)-1-(1-propylimidazol-2-yl)sulfanylethyl]-3H-quinazolin-4-one
CID 135881923
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 86907323
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751447

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide (CID 135797656) is N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide is CCc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
The InChIKey is VFPKDCVASIVWFU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-14-8-10-15(11-9-14)21-18(24)12-26-13(2)19-22-17-7-5-4-6-16(17)20(25)23-19/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23,25)/t13-/m1/s1.
What are the key properties of N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide has a molecular weight of 367.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 135797656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).