2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C19H24N4OS — CID 55705373

IUPAC2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1cccc(CSCC(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H24N4OS/c1-15-4-2-5-16(12-15)13-25-14-18(24)22-17-6-10-23(11-7-17)19-20-8-3-9-21-19/h2-5,8-9,12,17H,6-7,10-11,13-14H2,1H3,(H,22,24)
InChIKeyVBQFTLGCZJNAQR-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.80
Rot. Bonds6

About 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 55705373) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID55705373
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1cccc(CSCC(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H24N4OS/c1-15-4-2-5-16(12-15)13-25-14-18(24)22-17-6-10-23(11-7-17)19-20-8-3-9-21-19/h2-5,8-9,12,17H,6-7,10-11,13-14H2,1H3,(H,22,24)
InChIKeyVBQFTLGCZJNAQR-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide 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

2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 75361908
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705543
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 104927220
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 51115668
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 47061398

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 55705373) is 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is Cc1cccc(CSCC(=O)NC2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is VBQFTLGCZJNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-15-4-2-5-16(12-15)13-25-14-18(24)22-17-6-10-23(11-7-17)19-20-8-3-9-21-19/h2-5,8-9,12,17H,6-7,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 356.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 55705373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).