N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide

C19H21N3O3S — CID 8807414

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
SMILESCC(C)n1c(SCC(=O)N[C@H](C)c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O3S/c1-12(2)22-18(24)14-7-4-5-8-15(14)21-19(22)26-11-17(23)20-13(3)16-9-6-10-25-16/h4-10,12-13H,11H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyMPOPYSPLWWKYDE-CYBMUJFWSA-N
MW371.46 g/mol
LogP3.54
Rot. Bonds6

About N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide (PubChem CID 8807414) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
PubChem CID8807414
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
SMILESCC(C)n1c(SCC(=O)N[C@H](C)c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O3S/c1-12(2)22-18(24)14-7-4-5-8-15(14)21-19(22)26-11-17(23)20-13(3)16-9-6-10-25-16/h4-10,12-13H,11H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyMPOPYSPLWWKYDE-CYBMUJFWSA-N
XLogP3.54
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8807588
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594600
N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide
CID 17417257
N-(dicyclopropylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 31191233
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 55365769
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594664
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8807428
N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
CID 42891361
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
N-[1-(4-chlorophenyl)ethyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112776358

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide (CID 8807414) is N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide is CC(C)n1c(SCC(=O)N[C@H](C)c2ccco2)nc2ccccc2c1=O.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is MPOPYSPLWWKYDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12(2)22-18(24)14-7-4-5-8-15(14)21-19(22)26-11-17(23)20-13(3)16-9-6-10-25-16/h4-10,12-13H,11H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide?
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 371.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8807414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).