N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide

C14H14N4O2S — CID 2632326

IUPACN-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESC=CCNC(=O)NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C14H14N4O2S/c1-2-7-15-14(20)18-12(19)8-21-13-10-5-3-4-6-11(10)16-9-17-13/h2-6,9H,1,7-8H2,(H2,15,18,19,20)
InChIKeyVIVRBVOCOFQZNN-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.73
Rot. Bonds5

About N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide

N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2632326) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2632326
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESC=CCNC(=O)NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C14H14N4O2S/c1-2-7-15-14(20)18-12(19)8-21-13-10-5-3-4-6-11(10)16-9-17-13/h2-6,9H,1,7-8H2,(H2,15,18,19,20)
InChIKeyVIVRBVOCOFQZNN-UHFFFAOYSA-N
XLogP1.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide
CID 2630701
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4813998
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4814186
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide (CID 2632326) is N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide is C=CCNC(=O)NC(=O)CSc1ncnc2ccccc12.
What is the InChIKey of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is VIVRBVOCOFQZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-2-7-15-14(20)18-12(19)8-21-13-10-5-3-4-6-11(10)16-9-17-13/h2-6,9H,1,7-8H2,(H2,15,18,19,20).
What are the key properties of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 302.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2632326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).