N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide

C13H15N3O3S — CID 27209722

IUPACN-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide
SMILESC[C@@H](O)CNC(=O)CSc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O3S/c1-8(17)6-14-11(18)7-20-13-12(19)15-9-4-2-3-5-10(9)16-13/h2-5,8,17H,6-7H2,1H3,(H,14,18)(H,15,19)/t8-/m1/s1
InChIKeyCQTJSBMJHJOJQC-MRVPVSSYSA-N
MW293.35 g/mol
LogP0.51
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide

N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide (PubChem CID 27209722) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide
PubChem CID27209722
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide
SMILESC[C@@H](O)CNC(=O)CSc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O3S/c1-8(17)6-14-11(18)7-20-13-12(19)15-9-4-2-3-5-10(9)16-13/h2-5,8,17H,6-7H2,1H3,(H,14,18)(H,15,19)/t8-/m1/s1
InChIKeyCQTJSBMJHJOJQC-MRVPVSSYSA-N
XLogP0.51
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 40558768
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
methyl 4-[(3-oxo-4H-quinoxalin-2-yl)sulfanylmethyl]benzoate
CID 4092252
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51143918
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide;hydrochloride
CID 119525884
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide (CID 27209722) is N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide is C[C@@H](O)CNC(=O)CSc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide?
The InChIKey is CQTJSBMJHJOJQC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8(17)6-14-11(18)7-20-13-12(19)15-9-4-2-3-5-10(9)16-13/h2-5,8,17H,6-7H2,1H3,(H,14,18)(H,15,19)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide?
N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 27209722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).