N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide

C16H15ClN2O2S — CID 51319428

IUPACN-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Sc2ncccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2S/c1-10(20)12-5-3-6-13(9-12)19-15(21)11(2)22-16-14(17)7-4-8-18-16/h3-9,11H,1-2H3,(H,19,21)
InChIKeyKZFIUDGTSUHFGT-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.06
Rot. Bonds5

About N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide

N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide (PubChem CID 51319428) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
PubChem CID51319428
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Sc2ncccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2S/c1-10(20)12-5-3-6-13(9-12)19-15(21)11(2)22-16-14(17)7-4-8-18-16/h3-9,11H,1-2H3,(H,19,21)
InChIKeyKZFIUDGTSUHFGT-UHFFFAOYSA-N
XLogP4.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide 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

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 51319472
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-nitrophenyl)propanamide
CID 51319427
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)propanamide
CID 51319487
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
(2R)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529142
(2S)-N-(3-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7363945
3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 134037507
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2617970
N-(3-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 3923924

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide (CID 51319428) is N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide is CC(=O)c1cccc(NC(=O)C(C)Sc2ncccc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is KZFIUDGTSUHFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-10(20)12-5-3-6-13(9-12)19-15(21)11(2)22-16-14(17)7-4-8-18-16/h3-9,11H,1-2H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide?
N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 334.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 51319428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).