N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide

C15H16N2OS — CID 1251693

IUPACN-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
SMILESCc1ccnc(NC(=O)CCSc2ccccc2)c1
InChIInChI=1S/C15H16N2OS/c1-12-7-9-16-14(11-12)17-15(18)8-10-19-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18)
InChIKeyFTFWCINTAZFAES-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.51
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide

N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide (PubChem CID 1251693) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
PubChem CID1251693
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
SMILESCc1ccnc(NC(=O)CCSc2ccccc2)c1
InChIInChI=1S/C15H16N2OS/c1-12-7-9-16-14(11-12)17-15(18)8-10-19-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18)
InChIKeyFTFWCINTAZFAES-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 23945444
N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 23804504
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23917159
3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 61393999
N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide
CID 45284604
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
CID 54340292
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide (CID 1251693) is N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide is Cc1ccnc(NC(=O)CCSc2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
The InChIKey is FTFWCINTAZFAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12-7-9-16-14(11-12)17-15(18)8-10-19-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide has a molecular weight of 272.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 1251693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).