N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

C18H21N3O3S — CID 7185460

IUPACN-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C18H21N3O3S/c1-2-24-15-10-6-5-9-14(15)19-16(22)11-25-17-12-7-3-4-8-13(12)20-18(23)21-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyFVCPZZDEPRIBRE-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.78
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7185460) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7185460
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C18H21N3O3S/c1-2-24-15-10-6-5-9-14(15)19-16(22)11-25-17-12-7-3-4-8-13(12)20-18(23)21-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyFVCPZZDEPRIBRE-UHFFFAOYSA-N
XLogP2.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7185460) is N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is FVCPZZDEPRIBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-24-15-10-6-5-9-14(15)19-16(22)11-25-17-12-7-3-4-8-13(12)20-18(23)21-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).