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

C15H21N3O3S — CID 7527204

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)NC[C@@H]1CCCO1
InChIInChI=1S/C15H21N3O3S/c19-13(16-8-10-4-3-7-21-10)9-22-14-11-5-1-2-6-12(11)17-15(20)18-14/h10H,1-9H2,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyOFJSSKZAVYUXQK-JTQLQIEISA-N
MW323.42 g/mol
LogP1.04
Rot. Bonds5

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

N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7527204) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7527204
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)NC[C@@H]1CCCO1
InChIInChI=1S/C15H21N3O3S/c19-13(16-8-10-4-3-7-21-10)9-22-14-11-5-1-2-6-12(11)17-15(20)18-14/h10H,1-9H2,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyOFJSSKZAVYUXQK-JTQLQIEISA-N
XLogP1.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7527204) is N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is O=C(CSc1nc(=O)[nH]c2c1CCCC2)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is OFJSSKZAVYUXQK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-13(16-8-10-4-3-7-21-10)9-22-14-11-5-1-2-6-12(11)17-15(20)18-14/h10H,1-9H2,(H,16,19)(H,17,18,20)/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7527204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).