N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide

C19H19N3OS — CID 2371257

IUPACN-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(C)N(C(=O)CSc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-14(2)22(15-8-4-3-5-9-15)18(23)12-24-19-16-10-6-7-11-17(16)20-13-21-19/h3-11,13-14H,12H2,1-2H3
InChIKeyAJDQHKANKCRETP-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.16
Rot. Bonds5

About N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide

N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2371257) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2371257
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(C)N(C(=O)CSc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-14(2)22(15-8-4-3-5-9-15)18(23)12-24-19-16-10-6-7-11-17(16)20-13-21-19/h3-11,13-14H,12H2,1-2H3
InChIKeyAJDQHKANKCRETP-UHFFFAOYSA-N
XLogP4.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
CID 43028222
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607901
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 47095379
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 51217015
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112815555
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate
CID 46672415
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397
2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 2478100
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 55309277

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide (CID 2371257) is N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide is CC(C)N(C(=O)CSc1ncnc2ccccc12)c1ccccc1.
What is the InChIKey of N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is AJDQHKANKCRETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14(2)22(15-8-4-3-5-9-15)18(23)12-24-19-16-10-6-7-11-17(16)20-13-21-19/h3-11,13-14H,12H2,1-2H3.
What are the key properties of N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide?
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2371257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).