3-(4-aminophenyl)sulfanyl-N-ethylpropanamide

C11H16N2OS — CID 62324245

IUPAC3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-2-13-11(14)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyXVQFUKPBVAPBPD-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.89
Rot. Bonds5

About 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide

3-(4-aminophenyl)sulfanyl-N-ethylpropanamide (PubChem CID 62324245) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
PubChem CID62324245
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-2-13-11(14)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyXVQFUKPBVAPBPD-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
CID 79148198
3-(4-aminophenyl)sulfanylpropanehydrazide
CID 63580911
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495
3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 62324063
methyl 3-(4-aminophenyl)sulfanylpropanoate
CID 14790237
4-(4-aminophenyl)sulfanyl-N-methylbutanamide
CID 63890787
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347205
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119642937
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
CID 62326119
methyl 7-(4-aminophenyl)sulfanylheptanoate
CID 118515669

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide (CID 62324245) is 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide is CCNC(=O)CCSc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
The InChIKey is XVQFUKPBVAPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-13-11(14)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
3-(4-aminophenyl)sulfanyl-N-ethylpropanamide has a molecular weight of 224.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 62324245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).