N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide

C17H20N2OS — CID 78984518

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-19(12-14-7-6-8-15(18)11-14)17(20)13-21-16-9-4-3-5-10-16/h3-11H,2,12-13,18H2,1H3
InChIKeySSANTBLWGWRLRP-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.41
Rot. Bonds6

About N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide

N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide (PubChem CID 78984518) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
PubChem CID78984518
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-19(12-14-7-6-8-15(18)11-14)17(20)13-21-16-9-4-3-5-10-16/h3-11H,2,12-13,18H2,1H3
InChIKeySSANTBLWGWRLRP-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146
N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
CID 63833207
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
CID 113339399
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide (CID 78984518) is N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide is CCN(Cc1cccc(N)c1)C(=O)CSc1ccccc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide?
The InChIKey is SSANTBLWGWRLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-19(12-14-7-6-8-15(18)11-14)17(20)13-21-16-9-4-3-5-10-16/h3-11H,2,12-13,18H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide?
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 78984518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).