N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide

C18H17N3O4S — CID 17417257

IUPACN-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide
SMILESCC(C)n1c(SCC(=O)NC(=O)c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-11(2)21-17(24)12-6-3-4-7-13(12)19-18(21)26-10-15(22)20-16(23)14-8-5-9-25-14/h3-9,11H,10H2,1-2H3,(H,20,22,23)
InChIKeyPSXOFNKYZNAKTI-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide

N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide (PubChem CID 17417257) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide
PubChem CID17417257
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide
SMILESCC(C)n1c(SCC(=O)NC(=O)c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-11(2)21-17(24)12-6-3-4-7-13(12)19-18(21)26-10-15(22)20-16(23)14-8-5-9-25-14/h3-9,11H,10H2,1-2H3,(H,20,22,23)
InChIKeyPSXOFNKYZNAKTI-UHFFFAOYSA-N
XLogP2.62
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16569833
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8807588
N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594600
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-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8807428
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 55365769
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 7427701
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27971803

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide (CID 17417257) is N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide is CC(C)n1c(SCC(=O)NC(=O)c2ccco2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide?
The InChIKey is PSXOFNKYZNAKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11(2)21-17(24)12-6-3-4-7-13(12)19-18(21)26-10-15(22)20-16(23)14-8-5-9-25-14/h3-9,11H,10H2,1-2H3,(H,20,22,23).
What are the key properties of N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide?
N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide is sourced from PubChem (CID 17417257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).