2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C19H19N3O2S2 — CID 18193542

IUPAC2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CSc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H19N3O2S2/c1-3-10-22(12-14-7-6-11-25-14)17(23)13-26-19-20-16-9-5-4-8-15(16)18(24)21(19)2/h3-9,11H,1,10,12-13H2,2H3
InChIKeyUKPYFMDCPVUQHD-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.30
Rot. Bonds7

About 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 18193542) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID18193542
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CSc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H19N3O2S2/c1-3-10-22(12-14-7-6-11-25-14)17(23)13-26-19-20-16-9-5-4-8-15(16)18(24)21(19)2/h3-9,11H,1,10,12-13H2,2H3
InChIKeyUKPYFMDCPVUQHD-UHFFFAOYSA-N
XLogP3.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.30
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

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 5110121
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8522209
2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 84601631
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 7876150
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
3-methyl-2-prop-2-enylsulfanylquinazolin-4-one
CID 2138889
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3149105
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 41325977
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 4809917

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 18193542) is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CSc1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UKPYFMDCPVUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-3-10-22(12-14-7-6-11-25-14)17(23)13-26-19-20-16-9-5-4-8-15(16)18(24)21(19)2/h3-9,11H,1,10,12-13H2,2H3.
What are the key properties of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 18193542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).