3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide

C12H18N2OS — CID 62831539

IUPAC3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
SMILESCCNCCC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C12H18N2OS/c1-3-13-8-7-12(15)14-10-5-4-6-11(9-10)16-2/h4-6,9,13H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyFFBDZXIVNBQANK-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.35
Rot. Bonds6

About 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide

3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 62831539) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID62831539
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
SMILESCCNCCC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C12H18N2OS/c1-3-13-8-7-12(15)14-10-5-4-6-11(9-10)16-2/h4-6,9,13H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyFFBDZXIVNBQANK-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
N-methyl-3-(3-methylsulfanylanilino)propanamide
CID 62324761
2-azido-N-(3-methylsulfanylphenyl)acetamide
CID 52940390

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide (CID 62831539) is 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide is CCNCCC(=O)Nc1cccc(SC)c1.
What is the InChIKey of 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is FFBDZXIVNBQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-13-8-7-12(15)14-10-5-4-6-11(9-10)16-2/h4-6,9,13H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide?
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 238.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 62831539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).