N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide

C15H16N2O2S — CID 107020855

IUPACN-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(S)Cc2ccccc2)cn1
InChIInChI=1S/C15H16N2O2S/c1-19-14-8-7-12(10-16-14)17-15(18)13(20)9-11-5-3-2-4-6-11/h2-8,10,13,20H,9H2,1H3,(H,17,18)
InChIKeyJEJOOHQRDXCHNS-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.57
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide

N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107020855) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107020855
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(S)Cc2ccccc2)cn1
InChIInChI=1S/C15H16N2O2S/c1-19-14-8-7-12(10-16-14)17-15(18)13(20)9-11-5-3-2-4-6-11/h2-8,10,13,20H,9H2,1H3,(H,17,18)
InChIKeyJEJOOHQRDXCHNS-UHFFFAOYSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 26245375
benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 9210795
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
2-(2-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 16795634
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide (CID 107020855) is N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide is COc1ccc(NC(=O)C(S)Cc2ccccc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is JEJOOHQRDXCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-14-8-7-12(10-16-14)17-15(18)13(20)9-11-5-3-2-4-6-11/h2-8,10,13,20H,9H2,1H3,(H,17,18).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide?
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 288.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107020855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).