N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide

C19H18FN3O4S2 — CID 168951121

IUPACN-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
SMILESCOc1ccc2nc(C)nc(SCC(=O)c3ccc(CNC(=O)CO)s3)c2c1F
InChIInChI=1S/C19H18FN3O4S2/c1-10-22-12-4-5-14(27-2)18(20)17(12)19(23-10)28-9-13(25)15-6-3-11(29-15)7-21-16(26)8-24/h3-6,24H,7-9H2,1-2H3,(H,21,26)
InChIKeyVWJUMGLBFNLAPH-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.73
Rot. Bonds8

About N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide

N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide (PubChem CID 168951121) has the molecular formula C19H18FN3O4S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
PubChem CID168951121
Molecular FormulaC19H18FN3O4S2
Molecular Weight435.50 g/mol
Exact Mass435.07
IUPAC NameN-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
SMILESCOc1ccc2nc(C)nc(SCC(=O)c3ccc(CNC(=O)CO)s3)c2c1F
InChIInChI=1S/C19H18FN3O4S2/c1-10-22-12-4-5-14(27-2)18(20)17(12)19(23-10)28-9-13(25)15-6-3-11(29-15)7-21-16(26)8-24/h3-6,24H,7-9H2,1-2H3,(H,21,26)
InChIKeyVWJUMGLBFNLAPH-UHFFFAOYSA-N
XLogP2.73
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide with MolForge

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Related Compounds

N-[[5-[2-(2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
CID 168951107
2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 168950862
2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 168951132
(2S)-2-[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]-2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 178131007
1-(5-acetylthiophen-2-yl)-2-(5-methoxy-2-methylquinazolin-4-yl)sulfanylethanone;ethane;molecular hydrogen
CID 178131142
5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 178131032
N-(2-hydroxypropyl)-5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophene-2-carboxamide
CID 178130899
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7680307
N-[[5-[2-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
CID 168951137
3,3,3-trifluoro-2-hydroxysulfanyl-2-[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]propanamide
CID 178130763
1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 168951057

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide (CID 168951121) is N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide is COc1ccc2nc(C)nc(SCC(=O)c3ccc(CNC(=O)CO)s3)c2c1F.
What is the InChIKey of N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
The InChIKey is VWJUMGLBFNLAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S2/c1-10-22-12-4-5-14(27-2)18(20)17(12)19(23-10)28-9-13(25)15-6-3-11(29-15)7-21-16(26)8-24/h3-6,24H,7-9H2,1-2H3,(H,21,26).
What are the key properties of N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide has a molecular weight of 435.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(5-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 168951121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).