N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C14H22N2OS — CID 120827131

IUPACN-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCNC(C)CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C14H22N2OS/c1-11-4-6-13(7-5-11)9-18-10-14(17)16-8-12(2)15-3/h4-7,12,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyAGLCPLKGYHRFDJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.95
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 120827131) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID120827131
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCNC(C)CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C14H22N2OS/c1-11-4-6-13(7-5-11)9-18-10-14(17)16-8-12(2)15-3/h4-7,12,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyAGLCPLKGYHRFDJ-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726306
3-methyl-2-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]butanoic acid
CID 65215453
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
CID 120831411
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103725615
N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 113238688
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 120827131) is N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is CNC(C)CNC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is AGLCPLKGYHRFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-4-6-13(7-5-11)9-18-10-14(17)16-8-12(2)15-3/h4-7,12,15H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 120827131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).