(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide

C19H17N3O2S — CID 25381515

IUPAC(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cnnc3ccccc23)c1
InChIInChI=1S/C19H17N3O2S/c1-12(23)14-6-5-7-15(10-14)21-19(24)13(2)25-18-11-20-22-17-9-4-3-8-16(17)18/h3-11,13H,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyVYLBWQOWPSXYJQ-CYBMUJFWSA-N
MW351.43 g/mol
LogP3.95
Rot. Bonds5

About (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide

(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide (PubChem CID 25381515) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide
PubChem CID25381515
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cnnc3ccccc23)c1
InChIInChI=1S/C19H17N3O2S/c1-12(23)14-6-5-7-15(10-14)21-19(24)13(2)25-18-11-20-22-17-9-4-3-8-16(17)18/h3-11,13H,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyVYLBWQOWPSXYJQ-CYBMUJFWSA-N
XLogP3.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686121
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 51280107
N-(3-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 3923924
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2S)-N-(3-acetylphenyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide
CID 7262698
(2R)-N-(3-acetylphenyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 30400035
N-(3-acetylphenyl)-2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 3996524
(2R)-N-(3-acetylphenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7801706
N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 51319428

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide (CID 25381515) is (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cnnc3ccccc23)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide?
The InChIKey is VYLBWQOWPSXYJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12(23)14-6-5-7-15(10-14)21-19(24)13(2)25-18-11-20-22-17-9-4-3-8-16(17)18/h3-11,13H,1-2H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide?
(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide has a molecular weight of 351.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 25381515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).