N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

C20H25N3O4S — CID 18588234

IUPACN-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc(=O)n(CCO)c3c2CCCC3)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-15-9-7-14(8-10-15)21-18(25)13-28-19-16-5-3-4-6-17(16)23(11-12-24)20(26)22-19/h7-10,24H,2-6,11-13H2,1H3,(H,21,25)
InChIKeyPSHPVUKWYOSXOY-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.24
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18588234) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18588234
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc(=O)n(CCO)c3c2CCCC3)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-15-9-7-14(8-10-15)21-18(25)13-28-19-16-5-3-4-6-17(16)23(11-12-24)20(26)22-19/h7-10,24H,2-6,11-13H2,1H3,(H,21,25)
InChIKeyPSHPVUKWYOSXOY-UHFFFAOYSA-N
XLogP2.24
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18588234) is N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is CCOc1ccc(NC(=O)CSc2nc(=O)n(CCO)c3c2CCCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is PSHPVUKWYOSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-27-15-9-7-14(8-10-15)21-18(25)13-28-19-16-5-3-4-6-17(16)23(11-12-24)20(26)22-19/h7-10,24H,2-6,11-13H2,1H3,(H,21,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18588234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).