2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide

C18H21NOS — CID 86933457

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
SMILESCc1ccccc1CNC(=O)C(C)CSc1ccccc1
InChIInChI=1S/C18H21NOS/c1-14-8-6-7-9-16(14)12-19-18(20)15(2)13-21-17-10-4-3-5-11-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)
InChIKeyCKJNGJADEFBDOL-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.04
Rot. Bonds6

About 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide

2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 86933457) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
PubChem CID86933457
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
SMILESCc1ccccc1CNC(=O)C(C)CSc1ccccc1
InChIInChI=1S/C18H21NOS/c1-14-8-6-7-9-16(14)12-19-18(20)15(2)13-21-17-10-4-3-5-11-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)
InChIKeyCKJNGJADEFBDOL-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86956589
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933667
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933832
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
3-fluoro-4-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]benzamide
CID 86933555
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide (CID 86933457) is 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide is Cc1ccccc1CNC(=O)C(C)CSc1ccccc1.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is CKJNGJADEFBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14-8-6-7-9-16(14)12-19-18(20)15(2)13-21-17-10-4-3-5-11-17/h3-11,15H,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide?
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 299.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).