N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide

C21H23N3OS — CID 43028222

IUPACN-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(C)CC(NC(=O)CSc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3OS/c1-15(2)12-19(16-8-4-3-5-9-16)24-20(25)13-26-21-17-10-6-7-11-18(17)22-14-23-21/h3-11,14-15,19H,12-13H2,1-2H3,(H,24,25)
InChIKeyFSTJQHCIWGZNGQ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.63
Rot. Bonds7

About N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide

N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 43028222) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID43028222
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(C)CC(NC(=O)CSc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3OS/c1-15(2)12-19(16-8-4-3-5-9-16)24-20(25)13-26-21-17-10-6-7-11-18(17)22-14-23-21/h3-11,14-15,19H,12-13H2,1-2H3,(H,24,25)
InChIKeyFSTJQHCIWGZNGQ-UHFFFAOYSA-N
XLogP4.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-methyl-1-phenylbutyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 51489927
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
CID 9325470
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
N-(2-methyl-6-propan-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412358
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(3-methyl-1-phenylbutyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 43028451
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-[(1S)-3-methyl-1-phenylbutyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8522482

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide (CID 43028222) is N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide is CC(C)CC(NC(=O)CSc1ncnc2ccccc12)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is FSTJQHCIWGZNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15(2)12-19(16-8-4-3-5-9-16)24-20(25)13-26-21-17-10-6-7-11-18(17)22-14-23-21/h3-11,14-15,19H,12-13H2,1-2H3,(H,24,25).
What are the key properties of N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 43028222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).