N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide

C24H25N3O3S — CID 51473317

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H25N3O3S/c1-2-14-26-23(29)20-12-6-7-13-21(20)25-24(26)31-17-22(28)27(16-19-11-8-15-30-19)18-9-4-3-5-10-18/h2,6-9,11-13,15H,1,3-5,10,14,16-17H2
InChIKeyFUSVNHMSKNKQCQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.75
Rot. Bonds8

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide (PubChem CID 51473317) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
PubChem CID51473317
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H25N3O3S/c1-2-14-26-23(29)20-12-6-7-13-21(20)25-24(26)31-17-22(28)27(16-19-11-8-15-30-19)18-9-4-3-5-10-18/h2,6-9,11-13,15H,1,3-5,10,14,16-17H2
InChIKeyFUSVNHMSKNKQCQ-UHFFFAOYSA-N
XLogP4.75
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
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N-(cyclohexen-1-yl)-N-ethyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 55373822
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
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N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55378785
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 55379270
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 55561733
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate
CID 6943444
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one
CID 769355
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 17454394
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 37285451
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 43032757
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55379250

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide (CID 51473317) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide is C=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is FUSVNHMSKNKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-2-14-26-23(29)20-12-6-7-13-21(20)25-24(26)31-17-22(28)27(16-19-11-8-15-30-19)18-9-4-3-5-10-18/h2,6-9,11-13,15H,1,3-5,10,14,16-17H2.
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 435.55 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 51473317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).