N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

C16H19N3O3S — CID 135544785

IUPACN-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc2ccccc2c(=O)[nH]1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H19N3O3S/c1-10(14(20)17-9-11-5-4-8-22-11)23-16-18-13-7-3-2-6-12(13)15(21)19-16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyVEZSEVKMISOXAY-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.70
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (PubChem CID 135544785) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
PubChem CID135544785
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc2ccccc2c(=O)[nH]1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H19N3O3S/c1-10(14(20)17-9-11-5-4-8-22-11)23-16-18-13-7-3-2-6-12(13)15(21)19-16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyVEZSEVKMISOXAY-UHFFFAOYSA-N
XLogP1.70
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135547329
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 9267993
N-cyclopentyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686082
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
CID 51968063
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 42890626
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 51901759
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 9268004
(2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 27348048
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 18201879
(2S)-N-benzyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylpropanamide
CID 7869068

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (CID 135544785) is N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is CC(Sc1nc2ccccc2c(=O)[nH]1)C(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The InChIKey is VEZSEVKMISOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10(14(20)17-9-11-5-4-8-22-11)23-16-18-13-7-3-2-6-12(13)15(21)19-16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide has a molecular weight of 333.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135544785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).