N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide

C26H27N3O3S — CID 41487578

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(CN(C)C(=O)CSc2nc3ccccc3c(=O)n2CCCc2ccccc2)o1
InChIInChI=1S/C26H27N3O3S/c1-19-14-15-21(32-19)17-28(2)24(30)18-33-26-27-23-13-7-6-12-22(23)25(31)29(26)16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15H,8,11,16-18H2,1-2H3
InChIKeyFKNQYYZBOPRXNS-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.68
Rot. Bonds9

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 41487578) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID41487578
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(CN(C)C(=O)CSc2nc3ccccc3c(=O)n2CCCc2ccccc2)o1
InChIInChI=1S/C26H27N3O3S/c1-19-14-15-21(32-19)17-28(2)24(30)18-33-26-27-23-13-7-6-12-22(23)25(31)29(26)16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15H,8,11,16-18H2,1-2H3
InChIKeyFKNQYYZBOPRXNS-UHFFFAOYSA-N
XLogP4.68
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 36827299
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42402920
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
N-benzyl-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 4819039
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646250
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-methylacetamide
CID 55847606
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 8017652
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide
CID 31662231
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 7876150
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 46607990
N-(2-methyl-3-nitrophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide
CID 29460804

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide (CID 41487578) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide is Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3c(=O)n2CCCc2ccccc2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is FKNQYYZBOPRXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-19-14-15-21(32-19)17-28(2)24(30)18-33-26-27-23-13-7-6-12-22(23)25(31)29(26)16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15H,8,11,16-18H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 461.59 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 41487578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).