(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide

C15H15ClN2OS — CID 9459475

IUPAC(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-11(20-10-12-6-3-2-4-7-12)15(19)18-13-8-5-9-17-14(13)16/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyYGYKEOWDDNEBPA-LLVKDONJSA-N
MW306.82 g/mol
LogP4.00
Rot. Bonds5

About (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide

(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide (PubChem CID 9459475) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
PubChem CID9459475
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-11(20-10-12-6-3-2-4-7-12)15(19)18-13-8-5-9-17-14(13)16/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyYGYKEOWDDNEBPA-LLVKDONJSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
CID 55778353
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9275231
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
(2S)-N-(2-chloro-3-pyridinyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735108
methyl 3-[[(2R)-2-benzylsulfanylpropanoyl]amino]-4-chlorobenzoate
CID 51432434
N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 75846276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide (CID 9459475) is (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide is C[C@@H](SCc1ccccc1)C(=O)Nc1cccnc1Cl.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide?
The InChIKey is YGYKEOWDDNEBPA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-11(20-10-12-6-3-2-4-7-12)15(19)18-13-8-5-9-17-14(13)16/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide?
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide has a molecular weight of 306.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide is sourced from PubChem (CID 9459475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).