3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide

C16H18N2OS — CID 43008393

IUPAC3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCSCCC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2OS/c1-20-12-10-15(19)18-16(13-7-3-2-4-8-13)14-9-5-6-11-17-14/h2-9,11,16H,10,12H2,1H3,(H,18,19)
InChIKeyPNOBMAVGASKEIO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.04
Rot. Bonds6

About 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide

3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 43008393) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID43008393
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCSCCC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2OS/c1-20-12-10-15(19)18-16(13-7-3-2-4-8-13)14-9-5-6-11-17-14/h2-9,11,16H,10,12H2,1H3,(H,18,19)
InChIKeyPNOBMAVGASKEIO-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]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

3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 51152072
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
3-(furan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008392
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide (CID 43008393) is 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide is CSCCC(=O)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is PNOBMAVGASKEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-20-12-10-15(19)18-16(13-7-3-2-4-8-13)14-9-5-6-11-17-14/h2-9,11,16H,10,12H2,1H3,(H,18,19).
What are the key properties of 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 286.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 43008393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).