2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C16H20N2OS2 — CID 43298965

IUPAC2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CSc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C16H20N2OS2/c1-11(2)16(14-4-3-9-20-14)18-15(19)10-21-13-7-5-12(17)6-8-13/h3-9,11,16H,10,17H2,1-2H3,(H,18,19)
InChIKeyQJEZQZBUPMZDRU-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 43298965) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID43298965
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CSc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C16H20N2OS2/c1-11(2)16(14-4-3-9-20-14)18-15(19)10-21-13-7-5-12(17)6-8-13/h3-9,11,16H,10,17H2,1-2H3,(H,18,19)
InChIKeyQJEZQZBUPMZDRU-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 24569521
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46667554
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 52505836
2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62499193
2-(4-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 54956909
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 43298965) is 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)CSc1ccc(N)cc1)c1cccs1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is QJEZQZBUPMZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-11(2)16(14-4-3-9-20-14)18-15(19)10-21-13-7-5-12(17)6-8-13/h3-9,11,16H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 43298965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).