N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide

C21H23N3O2S — CID 135591687

IUPACN-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CS[C@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O2S/c1-4-15-9-7-8-13(2)19(15)23-18(25)12-27-14(3)20-22-17-11-6-5-10-16(17)21(26)24-20/h5-11,14H,4,12H2,1-3H3,(H,23,25)(H,22,24,26)/t14-/m1/s1
InChIKeyFBYKCKDWHRZMFB-CQSZACIVSA-N
MW381.50 g/mol
LogP4.23
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide

N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide (PubChem CID 135591687) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
PubChem CID135591687
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CS[C@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O2S/c1-4-15-9-7-8-13(2)19(15)23-18(25)12-27-14(3)20-22-17-11-6-5-10-16(17)21(26)24-20/h5-11,14H,4,12H2,1-3H3,(H,23,25)(H,22,24,26)/t14-/m1/s1
InChIKeyFBYKCKDWHRZMFB-CQSZACIVSA-N
XLogP4.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide with MolForge

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Related Compounds

N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
CID 135797656
N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
CID 135726372
2-[(1S)-1-[(2-methylphenyl)methylsulfanyl]ethyl]-3H-quinazolin-4-one
CID 136835934
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 112794659
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 2701084
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8761822
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46687521
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439314
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
N-(2,6-diethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135854716
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102896

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide (CID 135591687) is N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide is CCc1cccc(C)c1NC(=O)CS[C@H](C)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
The InChIKey is FBYKCKDWHRZMFB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-15-9-7-8-13(2)19(15)23-18(25)12-27-14(3)20-22-17-11-6-5-10-16(17)21(26)24-20/h5-11,14H,4,12H2,1-3H3,(H,23,25)(H,22,24,26)/t14-/m1/s1.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide?
N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide has a molecular weight of 381.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 135591687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).