N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide

C20H19N3O3S — CID 136686122

IUPACN-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H19N3O3S/c1-3-17(19(26)21-14-8-6-7-13(11-14)12(2)24)27-20-22-16-10-5-4-9-15(16)18(25)23-20/h4-11,17H,3H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyZLICDBHBWCNJTJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.64
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide

N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide (PubChem CID 136686122) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
PubChem CID136686122
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H19N3O3S/c1-3-17(19(26)21-14-8-6-7-13(11-14)12(2)24)27-20-22-16-10-5-4-9-15(16)18(25)23-20/h4-11,17H,3H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyZLICDBHBWCNJTJ-UHFFFAOYSA-N
XLogP3.64
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686121
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136686169
N-(3-acetylphenyl)-2-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)sulfanyl]butanamide
CID 136683975
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135538320
N-(3-acetylphenyl)-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136687468
(2R)-N-(3-chlorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135745681
3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanoylamino]benzoic acid
CID 23858595
ethyl 3-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate
CID 136685817
N-(3,5-dichlorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686094
(2S)-N-(3-methylphenyl)-2-[(6-oxo-1,7-dihydropurin-2-yl)sulfanyl]butanamide
CID 136911948
ethyl 4-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136686179
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide
CID 136684561

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide (CID 136686122) is N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide is CCC(Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide?
The InChIKey is ZLICDBHBWCNJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-3-17(19(26)21-14-8-6-7-13(11-14)12(2)24)27-20-22-16-10-5-4-9-15(16)18(25)23-20/h4-11,17H,3H2,1-2H3,(H,21,26)(H,22,23,25).
What are the key properties of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide?
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide has a molecular weight of 381.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 136686122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).