2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide

C16H18N2OS — CID 79134495

IUPAC2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2cccc(N)c2)c1
InChIInChI=1S/C16H18N2OS/c1-2-12-5-3-7-14(9-12)18-16(19)11-20-15-8-4-6-13(17)10-15/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyMHTSWAQBYCOYLN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide

2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide (PubChem CID 79134495) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
PubChem CID79134495
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2cccc(N)c2)c1
InChIInChI=1S/C16H18N2OS/c1-2-12-5-3-7-14(9-12)18-16(19)11-20-15-8-4-6-13(17)10-15/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyMHTSWAQBYCOYLN-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.56
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

2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 43301325
N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695322
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
CID 79133966
2-(3-aminophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 79133682
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide (CID 79134495) is 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CSc2cccc(N)c2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
The InChIKey is MHTSWAQBYCOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-12-5-3-7-14(9-12)18-16(19)11-20-15-8-4-6-13(17)10-15/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 79134495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).