N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide

C18H16ClN3O2S — CID 135726372

IUPACN-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)Nc1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16ClN3O2S/c1-11(17-21-14-8-4-2-6-12(14)18(24)22-17)25-10-16(23)20-15-9-5-3-7-13(15)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyPZUQQQFLHJPPOZ-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.01
Rot. Bonds5

About N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide

N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide (PubChem CID 135726372) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
PubChem CID135726372
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)Nc1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16ClN3O2S/c1-11(17-21-14-8-4-2-6-12(14)18(24)22-17)25-10-16(23)20-15-9-5-3-7-13(15)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyPZUQQQFLHJPPOZ-UHFFFAOYSA-N
XLogP4.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
CID 135797656
N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
CID 135591687
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 8780199
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439314
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
CID 112767461
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 8714374
2-[(1S)-1-[(2-methylphenyl)methylsulfanyl]ethyl]-3H-quinazolin-4-one
CID 136835934
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] pyrrolidine-1-carbodithioate
CID 135803894
2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135808998

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide (CID 135726372) is N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide is CC(SCC(=O)Nc1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
The InChIKey is PZUQQQFLHJPPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-11(17-21-14-8-4-2-6-12(14)18(24)22-17)25-10-16(23)20-15-9-5-3-7-13(15)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide has a molecular weight of 373.87 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide is sourced from PubChem (CID 135726372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).