N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide

C18H22N2OS — CID 119438694

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCCNCc1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-3-19-12-15-6-4-5-7-17(15)20-18(21)13-22-16-10-8-14(2)9-11-16/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyRGPHATMWXZRVDW-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide

N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 119438694) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID119438694
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCCNCc1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-3-19-12-15-6-4-5-7-17(15)20-18(21)13-22-16-10-8-14(2)9-11-16/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyRGPHATMWXZRVDW-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440366
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 119438694) is N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide is CCNCc1ccccc1NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is RGPHATMWXZRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-3-19-12-15-6-4-5-7-17(15)20-18(21)13-22-16-10-8-14(2)9-11-16/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 119438694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).