N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide

C15H16N2OS — CID 107036589

IUPACN-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCc1ccncc1CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H16N2OS/c1-11-6-7-16-9-13(11)10-17-15(18)8-12-2-4-14(19)5-3-12/h2-7,9,19H,8,10H2,1H3,(H,17,18)
InChIKeyALCDCVBQZIHQFD-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.54
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide

N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107036589) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107036589
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCc1ccncc1CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H16N2OS/c1-11-6-7-16-9-13(11)10-17-15(18)8-12-2-4-14(19)5-3-12/h2-7,9,19H,8,10H2,1H3,(H,17,18)
InChIKeyALCDCVBQZIHQFD-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377156
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114955965
2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114954620
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114957408
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114957290

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide (CID 107036589) is N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide is Cc1ccncc1CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is ALCDCVBQZIHQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-6-7-16-9-13(11)10-17-15(18)8-12-2-4-14(19)5-3-12/h2-7,9,19H,8,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide?
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107036589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).