2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide

C16H19N5O2S — CID 17407156

IUPAC2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nc(NCC)c2ccccc2n1
InChIInChI=1S/C16H19N5O2S/c1-3-9-18-15(23)20-13(22)10-24-16-19-12-8-6-5-7-11(12)14(21-16)17-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,17,19,21)(H2,18,20,22,23)
InChIKeyAMIVOJFZGQVUPV-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.17
Rot. Bonds7

About 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 17407156) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID17407156
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nc(NCC)c2ccccc2n1
InChIInChI=1S/C16H19N5O2S/c1-3-9-18-15(23)20-13(22)10-24-16-19-12-8-6-5-7-11(12)14(21-16)17-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,17,19,21)(H2,18,20,22,23)
InChIKeyAMIVOJFZGQVUPV-UHFFFAOYSA-N
XLogP2.17
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4813998
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4814186
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27098326
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 38991640
N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108470
3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18275768
N-(1,1-dioxothiolan-3-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 17415616
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108318

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide (CID 17407156) is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CSc1nc(NCC)c2ccccc2n1.
What is the InChIKey of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is AMIVOJFZGQVUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-3-9-18-15(23)20-13(22)10-24-16-19-12-8-6-5-7-11(12)14(21-16)17-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,17,19,21)(H2,18,20,22,23).
What are the key properties of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 345.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 17407156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).